data_5lmy_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 5lmy _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 5' ' ' LEU . . . . . . . . . . . . . 31.7 tp . . . . . 0 C--O 1.243 0.744 0 CA-C-O 121.559 0.695 . . . . 0.0 110.423 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.4 p -54.21 -27.52 34.92 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.932 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -57.87 -46.33 84.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.094 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -57.03 -49.31 76.22 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.115 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -49.24 -39.76 31.4 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.271 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 -75.23 -46.03 36.47 Favored 'General case' 0 C--O 1.216 -0.691 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.395 179.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -54.78 -45.3 74.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.042 0.449 . . . . 0.0 110.381 -179.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 30.8 t -61.0 -51.36 74.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 C-N-CA 120.186 -0.606 . . . . 0.0 111.058 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -68.56 -40.69 80.51 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.152 0.501 . . . . 0.0 111.281 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.527 ' O ' ' N ' ' A' ' 17' ' ' GLN . 65.5 tp60 -70.3 -72.41 0.2 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.413 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 14' ' ' GLN . 0.2 OUTLIER -37.89 -49.02 1.2 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 -178.581 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.571 ' HZ3' ' CD1' ' A' ' 31' ' ' LEU . 59.0 mttt -60.01 -41.01 91.21 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.052 -0.659 . . . . 0.0 111.106 179.132 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.527 ' N ' ' O ' ' A' ' 14' ' ' GLN . 46.5 mt-30 -65.97 -58.69 4.96 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-O 121.401 0.62 . . . . 0.0 109.962 179.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.54 -15.61 0.72 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.087 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.513 ' CD1' ' CZ ' ' A' ' 82' ' ' TYR . 3.4 mt -83.97 -50.25 8.2 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.617 178.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -45.43 -31.73 1.84 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.035 -179.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.422 HG21 ' N ' ' A' ' 22' ' ' ARG . 2.1 t -60.41 -35.2 75.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.45 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 19' ' ' LEU . 61.0 mtp85 -72.82 -10.47 59.83 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.404 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 105.33 30.05 4.86 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.9 t -105.85 167.68 3.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 116.653 0.227 . . . . 0.0 110.46 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -117.1 152.4 34.78 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.312 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.5 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 12.8 m -126.64 102.22 9.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 CA-C-O 121.086 0.469 . . . . 0.0 110.741 -179.439 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.478 ' HG2' ' H ' ' A' ' 28' ' ' TYR . 16.6 ttmt -111.13 162.67 14.68 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.299 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.478 ' H ' ' HG2' ' A' ' 27' ' ' LYS . 90.5 m-85 -57.66 -43.13 84.75 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.253 0.549 . . . . 0.0 110.223 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.79 -20.97 25.27 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.26 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.431 ' HB3' ' HZ2' ' A' ' 16' ' ' LYS . 37.6 t0 -71.51 -41.43 69.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.917 179.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.571 ' CD1' ' HZ3' ' A' ' 16' ' ' LYS . 4.4 mp -64.45 -41.16 96.71 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.162 0.506 . . . . 0.0 110.272 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 34.2 mt -59.04 -47.46 85.15 Favored 'General case' 0 C--N 1.31 -1.13 0 C-N-CA 119.64 -0.824 . . . . 0.0 110.971 -178.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -78.16 -52.68 8.35 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.365 -178.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -58.28 -40.63 82.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.964 0.411 . . . . 0.0 111.748 -178.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.431 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 4.4 t80 -72.16 -44.62 62.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.558 179.107 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -70.32 -25.14 63.17 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.914 0.388 . . . . 0.0 111.219 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -65.55 -59.9 3.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.788 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.519 ' O ' ' N ' ' A' ' 42' ' ' CYS . 2.6 m -66.98 -40.35 85.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -55.0 -29.83 58.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.703 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -47.0 -62.48 1.39 Allowed 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.654 -0.419 . . . . 0.0 110.893 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.444 ' C ' ' SG ' ' A' ' 42' ' ' CYS . 16.5 p -115.07 5.09 14.83 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.117 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.519 ' N ' ' O ' ' A' ' 38' ' ' VAL . 0.8 OUTLIER 33.93 65.46 1.44 Allowed Pre-proline 0 N--CA 1.464 0.259 0 O-C-N 123.498 0.499 . . . . 0.0 110.314 -178.752 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.605 ' C ' ' H ' ' A' ' 45' ' ' PHE . 23.7 Cg_exo -63.9 -19.56 66.91 Favored 'Trans proline' 0 N--CA 1.494 1.543 0 C-N-CA 122.89 2.393 . . . . 0.0 112.077 -178.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.571 ' O ' ' N ' ' A' ' 50' ' ' THR . 1.2 m-90 -67.96 23.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.011 0.434 . . . . 0.0 110.914 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.605 ' H ' ' C ' ' A' ' 43' ' ' PRO . 0.1 OUTLIER 77.64 92.26 0.05 OUTLIER Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 -179.636 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -54.68 -18.52 15.95 Favored 'Trans proline' 0 C--N 1.304 -1.792 0 C-N-CA 122.355 2.037 . . . . 0.0 112.05 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -83.8 -59.89 2.28 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 119.991 -0.684 . . . . 0.0 111.567 -179.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.1 tp10 -94.16 -27.19 16.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.428 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 45' ' ' PHE . . . 74.02 33.1 57.81 Favored Glycine 0 CA--C 1.538 1.505 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 -178.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.571 ' N ' ' O ' ' A' ' 44' ' ' TRP . 10.9 t -94.09 172.77 8.02 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.013 0.435 . . . . 0.0 110.762 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.3 mt -83.8 138.71 18.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.298 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -136.81 122.13 19.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.887 0.375 . . . . 0.0 110.608 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 39.6 mm -71.36 -42.49 73.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.437 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -64.14 -51.44 63.91 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.481 0.658 . . . . 0.0 110.719 -179.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -64.99 -35.37 80.99 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.112 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 37.8 t-105 -55.01 -39.32 68.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.182 0.515 . . . . 0.0 110.288 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -66.03 -37.57 86.22 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.106 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.513 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 79.8 ttt-85 -59.3 -50.17 75.0 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.793 -179.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.2 p -67.83 -34.29 66.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.459 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -63.39 -50.8 59.64 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.296 -0.722 . . . . 0.0 111.296 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.561 ' OD1' ' N ' ' A' ' 62' ' ' CYS . 3.5 p30 -70.29 -35.11 73.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.75 0.309 . . . . 0.0 110.815 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.561 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 94.4 m -65.76 -38.61 89.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.846 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -79.65 -42.03 25.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.513 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.743 HE21 HD22 ' A' ' 68' ' ' ASN . 51.8 tp60 -65.51 -36.89 85.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.628 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -65.53 -55.21 19.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.676 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.5 ' O ' ' OG1' ' A' ' 69' ' ' THR . 7.8 m-85 -64.33 -40.12 95.26 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.093 0.473 . . . . 0.0 110.619 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -64.11 -41.01 97.41 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.648 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.743 HD22 HE21 ' A' ' 64' ' ' GLN . 3.5 m120 -61.71 -40.75 96.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.207 -179.087 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.5 ' OG1' ' O ' ' A' ' 66' ' ' TYR . 71.7 p -50.96 -24.83 3.96 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.951 -0.299 . . . . 0.0 110.564 -179.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -85.39 13.6 6.46 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.627 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 40.48 59.68 2.22 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -77.96 128.53 9.23 Favored 'Trans proline' 0 C--N 1.308 -1.585 0 C-N-CA 122.81 2.34 . . . . 0.0 111.933 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -87.92 -31.63 19.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.077 0.465 . . . . 0.0 110.9 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.485 ' O ' ' C ' ' A' ' 75' ' ' VAL . 53.0 mmtt -63.27 -46.65 85.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.365 -178.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.485 ' C ' ' O ' ' A' ' 74' ' ' LYS . 96.2 t 25.95 78.52 0.24 Allowed Pre-proline 0 N--CA 1.468 0.431 0 O-C-N 123.663 0.602 . . . . 0.0 111.081 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -55.7 125.82 20.39 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.003 1.802 . . . . 0.0 111.531 -178.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 98.6 t -82.13 -22.1 9.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.944 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 43.9 p -46.93 -26.97 1.11 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.356 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.67 -24.86 58.86 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.277 0.561 . . . . 0.0 110.949 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -64.91 -39.26 93.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.422 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.433 ' CB ' ' HE ' ' A' ' 22' ' ' ARG . 67.2 m -63.13 -38.97 93.29 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.886 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.513 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 5.8 m-85 -57.73 -50.59 72.73 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.691 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.432 ' CE3' ' OD1' ' A' ' 84' ' ' ASN . 36.5 t90 -59.43 -43.07 93.15 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.78 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.432 ' OD1' ' CE3' ' A' ' 83' ' ' TRP . 98.1 m-20 -64.65 -44.01 91.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.294 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 55.2 tp -68.36 -54.13 19.36 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-O 120.816 0.341 . . . . 0.0 110.552 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.1 mt -57.83 -39.6 71.88 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.308 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -51.23 -50.41 59.19 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.674 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.451 ' O ' ' OD1' ' A' ' 91' ' ' ASP . 0.4 OUTLIER -84.23 -17.11 40.87 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 179.879 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 21.7 tp -60.44 -41.03 93.19 Favored 'General case' 0 CA--C 1.51 -0.594 0 CA-C-O 121.072 0.463 . . . . 0.0 110.541 -176.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 92' ' ' LYS . 36.5 mt -61.45 -41.04 88.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.959 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.587 ' OD1' ' N ' ' A' ' 92' ' ' LYS . 0.5 OUTLIER -41.52 -25.01 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.591 -178.279 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.587 ' N ' ' OD1' ' A' ' 91' ' ' ASP . 97.5 mttt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.644 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 30.2 tp . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.798 0.333 . . . . 0.0 110.594 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.0 p -53.39 -34.0 55.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.596 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -54.67 -45.04 73.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.629 179.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.1 m80 -59.41 -49.78 76.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.545 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -43.94 -30.52 0.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.558 178.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -81.97 -41.71 20.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.632 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -54.46 -49.03 71.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.563 178.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.9 t -61.25 -53.6 46.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.556 -179.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -64.57 -40.47 95.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.563 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.6 ' O ' ' N ' ' A' ' 17' ' ' GLN . 71.6 tp60 -69.97 -74.12 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.605 -179.105 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.471 ' C ' ' O ' ' A' ' 14' ' ' GLN . 0.2 OUTLIER -34.32 -46.86 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.562 179.837 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.517 ' HZ2' ' CD1' ' A' ' 31' ' ' LEU . 11.1 mtpt -62.75 -41.2 99.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.543 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.6 ' N ' ' O ' ' A' ' 14' ' ' GLN . 70.0 mt-30 -67.82 -58.19 5.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.548 178.052 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.4 -16.11 0.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.579 178.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.487 ' CD1' ' CZ ' ' A' ' 82' ' ' TYR . 5.2 mt -85.76 -48.96 8.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.59 179.147 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 66.8 tttm -43.79 -33.56 1.33 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.63 179.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.423 HG22 ' N ' ' A' ' 22' ' ' ARG . 4.3 t -61.43 -32.55 72.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.588 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 19' ' ' LEU . 94.5 mtt-85 -75.52 -9.31 58.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.5 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 105.86 29.71 4.84 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.0 t -105.97 168.64 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.805 0.336 . . . . 0.0 110.542 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -114.24 142.53 46.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.56 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.523 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 21.6 m -115.97 90.72 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.572 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.499 ' HG2' ' H ' ' A' ' 28' ' ' TYR . 19.5 ttmt -109.37 164.85 12.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.546 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.499 ' H ' ' HG2' ' A' ' 27' ' ' LYS . 96.4 m-85 -64.19 -35.71 81.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.599 179.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.12 -21.81 65.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.553 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.42 ' HB2' ' HZ1' ' A' ' 16' ' ' LYS . 59.2 m-20 -74.88 -38.24 61.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.535 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.517 ' CD1' ' HZ2' ' A' ' 16' ' ' LYS . 1.7 mp -61.87 -42.11 98.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.534 179.374 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 43.2 mt -53.93 -55.39 27.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.611 -178.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 37' ' ' PHE . 88.3 tttt -74.62 -50.3 18.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.488 -178.394 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -58.75 -42.03 87.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.566 -177.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.517 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 8.2 t80 -72.17 -46.52 56.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.551 -177.355 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -77.28 -20.46 55.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.529 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.508 ' N ' ' O ' ' A' ' 33' ' ' LYS . 1.6 t80 -61.0 -52.06 66.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.583 -179.288 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.577 ' O ' ' N ' ' A' ' 42' ' ' CYS . 2.4 m -76.48 -35.01 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.525 -179.579 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -63.96 -31.55 72.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.598 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -52.12 -46.04 65.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.601 -179.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.511 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 15.7 p -113.7 -6.12 13.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.579 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.577 ' N ' ' O ' ' A' ' 38' ' ' VAL . 8.5 p 36.85 58.86 3.72 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.52 -179.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.446 ' HD3' ' N ' ' A' ' 42' ' ' CYS . 58.9 Cg_endo -80.15 -38.93 0.29 Allowed 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.764 2.31 . . . . 0.0 112.106 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.727 ' HE1' ' H ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -76.47 5.72 6.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.531 -179.447 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.51 ' C ' ' H ' ' A' ' 47' ' ' GLN . 28.9 m-85 55.4 53.04 8.49 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.55 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.46 ' CD ' ' N ' ' A' ' 45' ' ' PHE . 5.0 Cg_endo -47.45 -9.36 0.06 OUTLIER 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.806 2.337 . . . . 0.0 112.135 -178.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.51 ' H ' ' C ' ' A' ' 45' ' ' PHE . 94.6 mm-40 -62.99 -57.23 11.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.561 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -94.64 -13.54 25.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.547 178.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.99 91.28 0.05 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.604 ' HG1' ' H ' ' A' ' 51' ' ' ILE . 15.1 t -139.55 168.66 19.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.838 0.351 . . . . 0.0 110.573 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.604 ' H ' ' HG1' ' A' ' 50' ' ' THR . 0.5 OUTLIER -120.89 139.42 48.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.58 179.345 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.727 ' H ' ' HE1' ' A' ' 44' ' ' TRP . 51.6 t0 -144.4 121.52 11.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.594 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.4 mm -71.81 -42.22 69.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.537 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.67 -52.76 59.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.619 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 27.2 ttm-85 -63.15 -37.85 88.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.631 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.623 ' CE3' ' CH2' ' A' ' 44' ' ' TRP . 23.4 t-105 -55.39 -37.67 67.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.595 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 75.7 ttt-85 -65.56 -41.49 92.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.6 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.498 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 99.7 mtt180 -57.78 -53.03 62.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.567 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.0 p -64.48 -39.16 84.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.559 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.02 -48.67 81.79 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -69.18 -35.18 76.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.807 0.336 . . . . 0.0 110.576 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 89.6 m -64.53 -37.32 87.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.562 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -82.0 -41.99 19.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.622 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -64.93 -40.11 94.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.585 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.404 ' OD2' ' C ' ' A' ' 65' ' ' ASP . 61.2 t0 -61.75 -53.52 54.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.554 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.513 ' O ' ' OG1' ' A' ' 69' ' ' THR . 4.7 m-85 -67.25 -38.57 85.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.575 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.401 ' CE1' ' CB ' ' A' ' 72' ' ' PRO . 59.2 t80 -67.4 -39.81 85.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.553 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 71' ' ' GLY . 3.4 m120 -62.47 -40.31 96.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.604 -178.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.513 ' OG1' ' O ' ' A' ' 66' ' ' TYR . 77.4 p -50.88 -21.54 1.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.616 -178.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -89.57 14.69 10.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.548 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 40.89 58.99 2.55 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.417 ' HD3' ' N ' ' A' ' 71' ' ' GLY . 56.8 Cg_endo -78.15 127.69 8.57 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.786 2.324 . . . . 0.0 112.107 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -88.61 -18.98 26.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.591 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.532 ' O ' ' C ' ' A' ' 75' ' ' VAL . 51.1 mmtt -73.23 -48.25 36.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.521 -179.074 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.532 ' C ' ' O ' ' A' ' 74' ' ' LYS . 89.6 t 28.71 79.23 0.25 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.481 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -55.24 123.94 15.05 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.797 2.331 . . . . 0.0 112.141 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 77.5 t -81.06 -17.14 12.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.595 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 69.3 p -45.72 -31.32 1.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.536 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.67 -30.33 63.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.549 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -68.94 -35.48 76.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.538 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.7 m -63.73 -40.55 97.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.554 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.487 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 19.8 m-85 -58.83 -48.91 79.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.536 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.501 ' C ' ' CD1' ' A' ' 83' ' ' TRP . 9.0 t-105 -55.61 -49.95 71.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.566 -178.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -64.43 -43.04 95.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.554 -178.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 64.6 tp -66.86 -67.51 0.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.585 -178.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -49.77 -35.1 9.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.513 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 45.8 tttt -53.54 -44.46 69.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.58 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.488 ' O ' ' OD2' ' A' ' 91' ' ' ASP . 0.6 OUTLIER -83.5 -18.98 36.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.583 -177.669 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.58 -41.98 95.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.538 -178.592 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 6.3 mt -62.64 -45.11 99.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.548 -178.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.548 ' OD2' ' C ' ' A' ' 91' ' ' ASP . 17.9 p30 -78.27 -5.84 53.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.58 -178.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 83.7 tttt . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.578 179.888 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.7 tp . . . . . 0 C--O 1.243 0.719 0 CA-C-O 121.27 0.557 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.3 p -55.02 -33.36 62.56 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.899 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -56.28 -41.99 76.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.096 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -57.71 -49.93 74.89 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -49.9 -32.88 15.67 Favored 'General case' 0 C--O 1.243 0.752 0 CA-C-O 121.608 0.718 . . . . 0.0 109.965 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -80.29 -49.19 11.91 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.799 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -51.28 -41.76 60.65 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.7 t -59.9 -57.62 10.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.918 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.08 -41.41 97.32 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.784 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.599 ' O ' ' N ' ' A' ' 17' ' ' GLN . 68.1 tp60 -67.31 -74.9 0.1 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.637 -179.259 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.464 ' C ' ' O ' ' A' ' 14' ' ' GLN . 0.2 OUTLIER -36.16 -44.94 0.42 Allowed 'General case' 0 C--O 1.233 0.223 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 -178.658 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.417 ' HZ2' ' HB3' ' A' ' 30' ' ' ASP . 25.9 mttm -61.12 -42.93 99.43 Favored 'General case' 0 C--N 1.315 -0.892 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.889 178.476 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.599 ' N ' ' O ' ' A' ' 14' ' ' GLN . 67.6 mm-40 -65.0 -59.15 4.47 Favored 'General case' 0 C--O 1.239 0.548 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.58 -16.8 0.25 Allowed 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.833 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.582 ' CD1' ' CZ ' ' A' ' 82' ' ' TYR . 3.4 mt -86.64 -48.39 8.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.675 178.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 66.7 tttm -42.76 -33.69 0.79 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.48 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.5 t -63.48 -33.23 75.11 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.74 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 19' ' ' LEU . 16.9 mmm-85 -71.67 -11.39 60.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.434 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.56 25.52 5.97 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.7 t -104.43 169.49 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.612 0.244 . . . . 0.0 110.686 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -111.81 154.17 25.5 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.379 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.507 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 19.4 m -132.89 86.69 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 121.233 0.54 . . . . 0.0 110.727 -179.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.45 ' O ' ' HB2' ' A' ' 30' ' ' ASP . 46.4 pttt -108.76 166.83 10.51 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.23 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 93.8 t80 -61.52 -40.25 93.95 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.011 0.434 . . . . 0.0 110.266 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.93 -23.34 53.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.69 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.45 ' HB2' ' O ' ' A' ' 27' ' ' LYS . 55.9 m-20 -72.86 -44.93 60.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.003 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.45 ' O ' ' CB ' ' A' ' 35' ' ' PHE . 3.3 mp -57.82 -42.63 84.71 Favored 'General case' 0 C--O 1.214 -0.782 0 C-N-CA 120.658 -0.417 . . . . 0.0 109.957 -179.23 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 43.9 mt -49.7 -58.21 5.76 Favored 'General case' 0 C--N 1.31 -1.145 0 C-N-CA 119.925 -0.71 . . . . 0.0 111.389 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 37' ' ' PHE . 87.5 tttt -69.23 -54.36 15.14 Favored 'General case' 0 C--O 1.219 -0.526 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.866 -179.053 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.452 ' CZ ' ' CE2' ' A' ' 82' ' ' TYR . 0.7 OUTLIER -57.82 -40.98 81.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.052 0.453 . . . . 0.0 112.051 -178.393 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.45 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 9.3 t80 -70.64 -48.36 55.39 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.638 -179.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -75.49 -19.46 59.38 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.25 0.547 . . . . 0.0 110.679 -179.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 33' ' ' LYS . 11.7 t80 -65.89 -56.12 13.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.26 -178.528 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.477 ' O ' ' N ' ' A' ' 42' ' ' CYS . 2.7 m -73.23 -32.32 37.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.895 179.554 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.487 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 86.3 tttt -60.15 -31.29 69.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.445 -179.266 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -43.06 -60.18 1.74 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.715 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 59.4 p -114.8 1.59 14.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.487 ' SG ' ' O ' ' A' ' 39' ' ' LYS . 12.7 m 38.07 62.32 4.12 Favored Pre-proline 0 C--N 1.333 -0.148 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.648 -178.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.644 ' C ' ' H ' ' A' ' 45' ' ' PHE . 38.2 Cg_exo -60.79 -22.16 72.63 Favored 'Trans proline' 0 C--N 1.309 -1.522 0 C-N-CA 122.801 2.334 . . . . 0.0 112.087 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -65.73 25.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.117 0.484 . . . . 0.0 110.853 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.644 ' H ' ' C ' ' A' ' 43' ' ' PRO . 0.3 OUTLIER 62.48 97.02 0.04 OUTLIER Pre-proline 0 N--CA 1.445 -0.699 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 179.873 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -68.75 -7.13 19.7 Favored 'Trans proline' 0 N--CA 1.495 1.575 0 C-N-CA 122.596 2.197 . . . . 0.0 112.545 -177.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -84.62 -60.33 2.1 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.938 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -94.73 -21.21 18.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.241 179.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.61 64.66 3.19 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 -178.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.3 t -132.05 171.89 13.05 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.943 0.401 . . . . 0.0 110.939 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.1 mt -84.37 138.59 18.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.159 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.424 ' C ' ' OD2' ' A' ' 52' ' ' ASP . 56.0 t0 -138.07 123.16 19.15 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.317 0.579 . . . . 0.0 110.565 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.5 mm -72.68 -40.06 61.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.202 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -62.71 -55.3 28.05 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.094 -178.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -64.56 -33.72 76.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.54 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 34.4 t-105 -57.42 -40.07 77.57 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.312 0.577 . . . . 0.0 110.573 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -66.49 -37.45 85.11 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.281 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.507 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 58.8 ttt85 -61.0 -50.06 74.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.018 -179.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.1 p -65.48 -41.41 90.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.719 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -63.08 -48.88 76.42 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -68.01 -37.48 81.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.889 0.376 . . . . 0.0 110.624 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.507 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 65.8 m -63.38 -38.25 90.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -81.84 -41.34 21.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.924 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 61.9 tp60 -66.15 -38.29 87.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.584 -179.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -66.31 -50.97 61.82 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.604 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.465 ' O ' ' OG1' ' A' ' 69' ' ' THR . 58.0 t80 -66.33 -38.5 87.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.6 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.416 ' CE1' ' CG ' ' A' ' 72' ' ' PRO . 56.3 t80 -67.48 -37.58 83.09 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.606 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.492 ' O ' ' N ' ' A' ' 71' ' ' GLY . 90.5 m-20 -61.74 -40.75 96.18 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.082 -178.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.465 ' OG1' ' O ' ' A' ' 66' ' ' TYR . 80.9 p -47.61 -21.26 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.33 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -90.27 15.79 9.82 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.713 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 38.91 59.07 1.77 Allowed Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.766 -0.933 . . . . 0.0 110.766 -178.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.416 ' CG ' ' CE1' ' A' ' 67' ' ' TYR . 59.7 Cg_endo -79.54 128.72 8.01 Favored 'Trans proline' 0 C--N 1.308 -1.602 0 C-N-CA 122.739 2.293 . . . . 0.0 112.443 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -87.87 -24.54 23.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.709 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.499 ' O ' ' C ' ' A' ' 75' ' ' VAL . 53.9 mmtt -66.24 -47.55 73.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.696 -178.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.499 ' C ' ' O ' ' A' ' 74' ' ' LYS . 74.0 t 27.48 80.29 0.22 Allowed Pre-proline 0 N--CA 1.463 0.205 0 O-C-N 123.944 0.777 . . . . 0.0 110.662 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.47 125.14 17.95 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.332 2.021 . . . . 0.0 111.516 -179.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.0 t -80.82 -20.76 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.8 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.438 ' O ' ' OG ' ' A' ' 81' ' ' SER . 65.5 p -45.62 -29.85 1.34 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.098 -179.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.36 -33.01 70.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.076 0.465 . . . . 0.0 110.697 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -72.82 -35.1 67.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.244 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 78' ' ' THR . 69.1 p -68.95 -39.74 79.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.717 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.582 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 2.9 m-85 -61.38 -46.28 90.85 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.626 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 29.4 t90 -58.36 -44.21 88.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.126 -179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -63.19 -44.93 93.98 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.273 -179.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 60.0 tp -68.17 -48.46 65.24 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-O 121.173 0.511 . . . . 0.0 110.841 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -62.41 -38.28 80.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.182 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 35.6 tttt -53.61 -45.63 70.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.788 -178.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.29 -19.09 47.48 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.236 -179.338 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.75 -42.85 99.5 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.402 -177.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.7 mt -61.53 -42.95 95.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.227 -179.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -64.97 -10.06 26.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.429 -178.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 72.0 tttt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.611 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.6 tp . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.729 0.3 . . . . 0.0 110.583 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.6 p -51.74 -33.64 35.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.555 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -53.82 -46.49 71.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.581 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -54.51 -49.29 70.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.537 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -47.73 -34.65 8.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.555 178.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 41.6 mtm180 -81.54 -45.41 15.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.564 179.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -52.51 -43.85 65.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.647 179.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.5 t -60.07 -54.79 29.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.563 -179.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -65.38 -36.33 83.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.583 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.585 ' O ' ' N ' ' A' ' 17' ' ' GLN . 66.9 tp60 -72.78 -73.29 0.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.58 -179.524 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.471 ' C ' ' O ' ' A' ' 14' ' ' GLN . 0.2 OUTLIER -34.5 -46.69 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.594 179.796 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.5 mttp -62.92 -41.63 99.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.527 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.585 ' N ' ' O ' ' A' ' 14' ' ' GLN . 66.4 mt-30 -65.98 -57.4 7.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.549 177.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.77 -15.74 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.558 178.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.519 ' CD1' ' CZ ' ' A' ' 82' ' ' TYR . 5.4 mt -86.92 -48.85 7.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.547 179.185 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -44.49 -34.47 2.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.571 179.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.5 t -63.91 -29.38 70.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.518 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 19' ' ' LEU . 26.5 mmt-85 -77.22 -8.37 57.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.578 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 106.76 23.62 7.06 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 5.7 t -102.01 169.91 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.731 0.301 . . . . 0.0 110.621 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -114.38 144.18 43.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.544 178.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.55 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 18.1 m -117.73 88.43 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.572 -179.481 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.538 ' HG2' ' H ' ' A' ' 28' ' ' TYR . 15.6 ttmt -109.35 165.36 11.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.572 179.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.538 ' H ' ' HG2' ' A' ' 27' ' ' LYS . 93.5 m-85 -56.93 -41.4 78.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.574 179.268 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.84 -20.71 6.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.579 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.446 ' HB2' ' O ' ' A' ' 27' ' ' LYS . 76.5 m-20 -72.75 -41.13 65.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.586 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.531 ' O ' ' CB ' ' A' ' 35' ' ' PHE . 4.0 mp -63.99 -41.55 97.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.553 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.2 mt -55.92 -53.78 52.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.522 -178.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 37' ' ' PHE . 87.8 tttt -77.64 -49.55 14.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.575 -177.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -60.18 -39.92 88.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.582 -177.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.531 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 11.2 t80 -74.45 -47.31 34.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.496 -177.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -75.8 -19.87 58.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.629 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.465 ' N ' ' O ' ' A' ' 33' ' ' LYS . 3.0 t80 -60.63 -52.07 66.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.586 -179.341 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.549 ' O ' ' N ' ' A' ' 42' ' ' CYS . 0.3 OUTLIER -77.89 -35.0 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.55 179.796 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 40' ' ' ASP . 75.6 tttt -54.19 -36.58 63.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.601 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 39' ' ' LYS . 66.6 t0 -39.49 -60.42 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.543 -179.372 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 42' ' ' CYS . 2.2 p -111.15 -6.5 14.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.509 -179.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.607 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 16.8 p 36.45 60.31 3.34 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.571 -178.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.566 ' C ' ' H ' ' A' ' 45' ' ' PHE . 55.2 Cg_endo -79.94 -8.04 14.36 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.905 2.403 . . . . 0.0 112.112 -179.131 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -71.86 20.61 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.501 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.576 ' O ' ' N ' ' A' ' 49' ' ' GLY . 2.4 m-85 56.05 82.08 0.25 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.619 179.332 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -49.41 -24.32 8.63 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.846 2.364 . . . . 0.0 112.102 -177.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -84.39 -51.84 6.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.567 -178.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 50' ' ' THR . 0.5 OUTLIER -88.45 -12.24 43.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.596 -178.683 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.576 ' N ' ' O ' ' A' ' 45' ' ' PHE . . . 39.59 28.74 0.13 Allowed Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -178.388 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 48' ' ' GLU . 8.8 t -91.0 169.85 10.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.775 0.322 . . . . 0.0 110.56 -179.043 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -101.61 141.16 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.611 178.159 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -135.16 123.68 23.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.522 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.403 HG23 HD12 ' A' ' 53' ' ' ILE . 31.8 mm -72.03 -40.74 67.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.534 -179.504 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -61.9 -59.58 4.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.531 -178.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -62.69 -31.03 71.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.601 -179.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 23.9 t-105 -58.59 -40.76 84.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.524 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 90.5 mtm180 -66.79 -33.39 75.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.59 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.526 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 78.4 ttt-85 -62.33 -53.4 55.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.522 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 p -64.47 -40.51 89.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.602 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -60.67 -48.77 84.58 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -71.0 -39.11 72.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.744 0.306 . . . . 0.0 110.525 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.526 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 97.3 m -63.42 -37.62 87.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.543 -178.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -82.37 -42.41 18.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.522 -179.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -65.41 -36.84 85.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.592 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -64.67 -54.39 32.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.552 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.452 ' O ' ' OG1' ' A' ' 69' ' ' THR . 22.9 m-85 -69.21 -41.28 77.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.535 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.462 ' O ' ' N ' ' A' ' 71' ' ' GLY . 51.6 t80 -62.07 -46.75 87.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.518 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 61.4 t-20 -64.43 -38.94 92.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.584 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 66' ' ' TYR . 39.9 p -63.58 -32.94 74.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.621 -179.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -110.97 11.43 22.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.601 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 67' ' ' TYR . . . -130.94 -156.82 8.68 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -79.82 159.35 24.6 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.817 2.345 . . . . 0.0 112.117 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -80.79 -26.19 37.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.557 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.469 ' O ' ' O ' ' A' ' 75' ' ' VAL . 21.9 mtpt -62.3 -46.98 86.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.55 179.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.469 ' O ' ' O ' ' A' ' 74' ' ' LYS . 26.9 t 59.1 131.55 0.02 OUTLIER Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.508 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -50.24 123.5 11.2 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.83 2.353 . . . . 0.0 112.107 178.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 65.3 t -82.71 -25.06 8.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.531 -179.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.1 p -47.89 -27.34 2.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.6 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.84 -23.19 60.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.6 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -70.6 -34.76 72.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.572 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 41.2 m -70.15 -40.75 74.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.548 -179.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.519 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 2.8 m-85 -58.45 -50.01 75.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.581 -179.403 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 18.9 t90 -59.55 -41.7 90.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.538 -179.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -65.73 -42.82 90.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.508 -178.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 57.0 tp -71.06 -42.18 69.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.563 -177.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -69.83 -34.47 60.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.583 179.044 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 40.5 tttt -57.96 -38.17 75.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.574 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -87.17 -22.83 25.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.618 -178.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.89 -45.72 89.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.525 -178.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 9.8 mt -61.99 -43.02 97.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.548 -179.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -60.62 -35.48 76.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.598 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 96.6 mttt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.602 -179.435 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.9 tp . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.803 0.335 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.4 p -56.2 -34.5 66.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.561 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -57.26 -41.99 80.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.601 179.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -59.35 -50.4 74.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.572 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -49.46 -34.72 17.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.578 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -77.29 -52.27 9.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.551 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -49.57 -43.81 46.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.593 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.5 t -59.62 -57.75 10.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.637 -178.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.6 -43.63 84.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.575 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.638 ' O ' ' N ' ' A' ' 17' ' ' GLN . 65.8 tp60 -63.83 -78.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.566 -179.251 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.487 ' C ' ' O ' ' A' ' 14' ' ' GLN . 0.2 OUTLIER -32.2 -42.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.59 179.645 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.575 ' HZ2' ' CD1' ' A' ' 31' ' ' LEU . 66.0 mttt -63.71 -43.03 97.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.539 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.638 ' N ' ' O ' ' A' ' 14' ' ' GLN . 71.1 mt-30 -60.1 -58.32 9.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.53 178.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.493 ' O ' ' CG2' ' A' ' 21' ' ' THR . . . -52.57 -16.7 0.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.554 178.331 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.545 ' O ' ' N ' ' A' ' 22' ' ' ARG . 5.8 mt -90.36 -49.7 6.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.606 178.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 19' ' ' LEU . 64.0 tttm -38.02 -42.77 0.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.597 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.493 ' CG2' ' O ' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -55.58 -37.55 68.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.613 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.545 ' N ' ' O ' ' A' ' 19' ' ' LEU . 75.4 mmt-85 -69.0 -9.77 54.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.497 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.32 29.53 4.2 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.5 t -104.61 169.8 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.867 0.365 . . . . 0.0 110.574 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -112.14 148.36 34.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.565 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.4 m -120.69 17.21 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.586 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.536 ' NZ ' ' OD2' ' A' ' 30' ' ' ASP . 19.0 pttp -52.43 164.59 0.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.552 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -60.56 -34.44 74.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.542 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.85 -22.17 58.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.577 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.536 ' OD2' ' NZ ' ' A' ' 27' ' ' LYS . 81.3 m-20 -72.04 -42.92 65.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.564 -179.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.575 ' CD1' ' HZ2' ' A' ' 16' ' ' LYS . 4.6 mp -61.34 -43.59 98.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.563 -179.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 51.4 mt -48.6 -67.27 0.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.555 -178.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.536 ' O ' ' N ' ' A' ' 37' ' ' PHE . 88.8 tttt -69.4 -49.13 58.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.585 -177.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.44 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 59.1 t80 -57.82 -42.82 85.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.656 -176.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.529 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 17.1 t80 -71.1 -47.38 58.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.585 -177.55 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -76.86 -19.92 56.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.566 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.536 ' N ' ' O ' ' A' ' 33' ' ' LYS . 3.5 t80 -63.2 -51.99 64.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.601 -178.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.537 ' O ' ' N ' ' A' ' 42' ' ' CYS . 3.3 m -75.1 -37.64 40.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.561 -179.399 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 40' ' ' ASP . 50.0 tttp -60.1 -38.98 84.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.498 -179.158 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 39' ' ' LYS . 94.0 m-20 -39.24 -52.14 1.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.514 -179.613 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.463 ' O ' ' C ' ' A' ' 42' ' ' CYS . 17.9 p -113.88 -4.21 13.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.531 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.537 ' N ' ' O ' ' A' ' 38' ' ' VAL . 6.9 p 35.04 60.52 2.41 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.619 -179.565 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -78.25 -35.89 1.14 Allowed 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.865 2.377 . . . . 0.0 112.141 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.584 ' CH2' ' CE3' ' A' ' 56' ' ' TRP . 0.1 OUTLIER -77.6 3.21 14.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.586 -179.47 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.563 ' C ' ' H ' ' A' ' 47' ' ' GLN . 60.9 m-85 55.33 50.31 5.82 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.519 -179.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 45' ' ' PHE . 6.4 Cg_endo -48.09 -6.29 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.821 2.347 . . . . 0.0 112.064 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.563 ' H ' ' C ' ' A' ' 45' ' ' PHE . 98.5 mm-40 -62.93 -56.24 18.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.502 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -92.78 -30.2 15.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.518 179.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.53 87.12 1.37 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.8 t -142.68 166.64 24.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.782 0.325 . . . . 0.0 110.595 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.428 ' O ' ' OD2' ' A' ' 52' ' ' ASP . 0.3 OUTLIER -117.56 136.9 53.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.595 179.617 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.531 ' H ' ' HE1' ' A' ' 44' ' ' TRP . 96.3 m-20 -139.85 122.01 15.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.554 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.447 HG22 HD12 ' A' ' 53' ' ' ILE . 30.0 mm -75.68 -39.97 39.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.574 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -64.55 -53.38 48.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.607 -178.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.47 ' CZ ' ' CZ ' ' A' ' 45' ' ' PHE . 78.8 mtp85 -64.13 -33.82 76.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.567 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.584 ' CE3' ' CH2' ' A' ' 44' ' ' TRP . 13.4 t-105 -58.38 -37.41 75.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.62 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 71.4 ttp85 -66.97 -39.79 87.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.637 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.498 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 94.4 mtt-85 -57.33 -52.26 66.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.52 -179.603 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.8 p -66.25 -33.02 60.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.555 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.06 -46.13 82.73 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -75.92 -34.27 59.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.829 0.347 . . . . 0.0 110.552 -179.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 91.4 m -65.58 -38.86 90.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.564 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -82.17 -40.46 21.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.533 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -66.12 -35.99 81.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.545 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -66.75 -52.92 38.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.558 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.508 ' O ' ' OG1' ' A' ' 69' ' ' THR . 7.7 m-85 -67.97 -38.18 82.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.528 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.422 ' CE1' ' CG ' ' A' ' 72' ' ' PRO . 57.8 t80 -69.27 -41.27 77.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.536 -179.561 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.501 ' O ' ' N ' ' A' ' 71' ' ' GLY . 43.5 t-20 -62.79 -40.78 98.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.593 -178.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.508 ' OG1' ' O ' ' A' ' 66' ' ' TYR . 76.1 p -49.52 -19.54 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.607 -179.108 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -93.58 15.27 16.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.588 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 39.29 61.66 1.43 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.422 ' CG ' ' CE1' ' A' ' 67' ' ' TYR . 57.6 Cg_endo -80.3 132.61 9.28 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.854 2.369 . . . . 0.0 112.13 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -89.74 -32.1 17.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.537 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.514 ' O ' ' C ' ' A' ' 75' ' ' VAL . 50.8 mmtt -61.64 -49.07 78.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.6 -178.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.514 ' C ' ' O ' ' A' ' 74' ' ' LYS . 99.3 t 29.98 85.0 0.15 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.574 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_exo -55.87 125.23 18.42 Favored 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 122.772 2.315 . . . . 0.0 112.16 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 62.3 t -82.24 -22.91 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.569 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.428 ' O ' ' OG ' ' A' ' 81' ' ' SER . 21.7 p -44.56 -31.69 1.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.519 179.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.78 -35.03 68.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.512 179.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -73.74 -34.88 64.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.552 -179.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' A' ' 78' ' ' THR . 77.9 p -69.12 -37.46 78.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.581 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.487 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 2.9 m-85 -61.89 -49.11 77.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.533 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 29.6 t90 -60.4 -38.13 82.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.541 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -63.3 -51.34 66.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.644 -178.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 62.2 tp -65.15 -50.06 67.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.584 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -61.53 -40.22 85.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.547 -179.557 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 53.9 tttt -50.78 -49.02 59.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.572 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.424 ' C ' ' CD ' ' A' ' 88' ' ' GLU . 0.5 OUTLIER -84.49 -17.64 38.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.524 -178.83 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 33.2 tp -60.79 -43.32 98.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.609 -178.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 30.5 mt -61.54 -45.37 98.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.53 -179.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -63.31 -11.72 24.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.612 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 78.7 tttt . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.594 179.902 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 40.3 tp . . . . . 0 C--O 1.239 0.542 0 CA-C-O 121.257 0.551 . . . . 0.0 110.465 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 t -55.11 -28.6 53.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.258 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.742 HE22 HH11 ' A' ' 10' ' ' ARG . 67.5 tp60 -57.2 -46.64 82.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.388 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -59.39 -47.85 83.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.132 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -50.26 -34.14 22.17 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.142 0.496 . . . . 0.0 110.297 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.742 HH11 HE22 ' A' ' 7' ' ' GLN . 53.7 ttp180 -79.33 -49.93 11.66 Favored 'General case' 0 C--O 1.215 -0.737 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.453 179.143 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.451 ' O ' ' CB ' ' A' ' 15' ' ' LEU . 43.0 t80 -52.98 -41.75 64.89 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.089 0.471 . . . . 0.0 110.35 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.2 t -62.2 -60.58 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.271 -179.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -69.08 -45.35 70.54 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.301 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.56 ' O ' ' N ' ' A' ' 17' ' ' GLN . 65.0 tp60 -65.22 -77.22 0.06 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.613 -179.051 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.462 ' C ' ' O ' ' A' ' 14' ' ' GLN . 0.5 OUTLIER -34.7 -46.0 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.611 -178.678 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.624 ' HZ3' ' CD1' ' A' ' 31' ' ' LEU . 69.8 mttt -53.52 -43.99 68.79 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.605 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.56 ' N ' ' O ' ' A' ' 14' ' ' GLN . 86.2 mt-30 -60.9 -54.66 42.37 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.078 0.466 . . . . 0.0 109.814 178.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.21 -14.75 2.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.497 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.517 ' CD1' ' CZ ' ' A' ' 82' ' ' TYR . 3.4 mt -88.41 -50.98 5.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.987 178.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -43.01 -42.64 3.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.673 -179.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.72 -31.13 68.0 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.684 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 19' ' ' LEU . 79.1 mmt-85 -71.17 -8.08 51.06 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.577 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.49 21.08 8.14 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.472 ' CG1' ' H ' ' A' ' 25' ' ' LYS . 21.2 t -103.39 171.54 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.678 0.275 . . . . 0.0 110.611 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.472 ' H ' ' CG1' ' A' ' 24' ' ' VAL . 60.4 mttp -115.33 144.85 43.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.393 179.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.521 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 18.8 m -124.0 84.25 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 121.102 0.477 . . . . 0.0 110.576 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.7 pttt -108.3 166.15 10.97 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.812 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -55.83 -37.32 68.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.107 0.48 . . . . 0.0 110.625 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.12 -21.79 59.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.673 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -71.59 -40.83 69.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.794 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.624 ' CD1' ' HZ3' ' A' ' 16' ' ' LYS . 4.3 mp -63.94 -40.8 97.28 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-O 121.126 0.489 . . . . 0.0 110.269 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 46.1 mt -58.22 -53.52 57.35 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.429 -0.508 . . . . 0.0 111.092 -178.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -75.24 -53.72 8.31 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.13 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -55.64 -42.1 74.52 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.47 -177.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.482 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 5.3 t80 -72.07 -44.19 63.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.125 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -74.73 -22.59 58.73 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 121.018 0.437 . . . . 0.0 110.676 -179.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -64.23 -53.56 47.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.765 -178.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' A' ' 42' ' ' CYS . 3.8 m -74.75 -37.16 42.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.007 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -56.65 -31.24 64.19 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.535 -179.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -43.53 -63.75 0.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.856 -179.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 46.3 p -114.69 -5.93 12.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.853 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.517 ' N ' ' O ' ' A' ' 38' ' ' VAL . 3.9 m 48.04 63.86 9.57 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.14 0.495 . . . . 0.0 110.631 -178.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.667 ' C ' ' H ' ' A' ' 45' ' ' PHE . 8.4 Cg_exo -70.77 -20.88 29.52 Favored 'Trans proline' 0 C--N 1.302 -1.868 0 C-N-CA 123.034 2.489 . . . . 0.0 112.291 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -64.8 27.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.667 ' H ' ' C ' ' A' ' 43' ' ' PRO . 0.1 OUTLIER 58.28 93.68 0.05 OUTLIER Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.215 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -75.78 -10.53 19.99 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.819 2.346 . . . . 0.0 112.25 -178.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -84.29 -56.86 3.42 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.535 ' OE1' ' CD2' ' A' ' 45' ' ' PHE . 19.7 pt-20 -90.49 -30.7 17.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.813 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.16 62.71 2.69 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.711 -0.956 . . . . 0.0 110.711 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.1 t -139.99 170.28 16.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.855 0.36 . . . . 0.0 110.752 -179.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.2 mt -83.19 142.66 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.318 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.419 ' C ' ' OD2' ' A' ' 52' ' ' ASP . 56.6 t0 -140.31 121.72 15.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.089 0.471 . . . . 0.0 110.362 179.445 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.445 HG22 HD11 ' A' ' 53' ' ' ILE . 36.6 mm -71.22 -41.73 75.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.069 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -60.8 -56.87 16.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.239 -178.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.469 ' NH1' ' CZ ' ' A' ' 45' ' ' PHE . 92.9 mtt180 -62.49 -34.0 75.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.699 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.541 ' NE1' ' NE1' ' A' ' 83' ' ' TRP . 44.8 t-105 -57.52 -39.51 76.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.091 0.472 . . . . 0.0 110.649 -179.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -66.47 -37.55 85.35 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.389 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.504 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 60.3 ttt85 -60.43 -53.14 61.15 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.842 -179.385 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.4 p -63.26 -37.5 79.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.58 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -63.33 -47.59 86.38 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -71.99 -36.28 69.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.81 0.338 . . . . 0.0 110.783 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.504 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 85.5 m -64.5 -37.85 88.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.8 -179.451 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -84.98 -39.47 18.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.907 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -63.9 -39.74 94.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.335 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -66.74 -51.61 53.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.544 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.495 ' O ' ' OG1' ' A' ' 69' ' ' THR . 71.1 t80 -63.34 -40.07 96.28 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.537 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.421 ' CE2' ' CG ' ' A' ' 72' ' ' PRO . 59.9 t80 -69.9 -38.34 76.27 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.722 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.504 ' O ' ' N ' ' A' ' 71' ' ' GLY . 34.9 t30 -64.09 -40.04 95.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.054 -178.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.495 ' OG1' ' O ' ' A' ' 66' ' ' TYR . 55.1 p -48.4 -20.44 0.41 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.846 -179.106 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -92.27 14.87 15.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.786 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 40.48 60.11 2.12 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.421 ' CG ' ' CE2' ' A' ' 67' ' ' TYR . 58.6 Cg_endo -78.7 129.35 9.13 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 122.793 2.329 . . . . 0.0 112.22 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.5 tp10 -87.8 -27.12 22.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.641 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.519 ' O ' ' C ' ' A' ' 75' ' ' VAL . 54.7 mmtt -64.37 -47.29 79.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.86 -178.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.519 ' C ' ' O ' ' A' ' 74' ' ' LYS . 73.7 t 25.74 82.49 0.18 Allowed Pre-proline 0 C--O 1.232 0.165 0 O-C-N 123.793 0.683 . . . . 0.0 110.78 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.02 125.95 19.93 Favored 'Trans proline' 0 C--N 1.308 -1.574 0 C-N-CA 122.598 2.199 . . . . 0.0 111.761 -179.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 67.0 t -82.09 -26.64 9.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.785 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.6 p -44.28 -31.02 0.9 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.303 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.23 -31.62 65.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.019 0.438 . . . . 0.0 110.79 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -66.66 -40.09 88.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.972 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 71.3 m -60.6 -40.05 90.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.634 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.517 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 17.5 m-85 -60.01 -46.37 89.69 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.615 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.541 ' NE1' ' NE1' ' A' ' 56' ' ' TRP . 10.3 m0 -55.45 -48.36 74.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.112 -179.26 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -64.99 -41.76 95.11 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.307 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 53.5 tp -69.89 -58.36 3.96 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.102 -179.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -55.69 -39.16 53.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.918 0.39 . . . . 0.0 110.333 179.389 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 64.9 tttt -53.14 -48.94 67.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.548 -178.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.84 -17.23 38.68 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.246 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 29.5 tp -60.59 -42.27 96.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.485 -176.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 28.7 mt -60.38 -42.48 91.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.469 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -74.55 -5.44 42.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.556 -179.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 73.8 tttt . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.721 -179.565 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 38.2 tp . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.868 0.366 . . . . 0.0 110.611 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.3 m -55.82 -35.92 66.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.552 179.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -55.99 -41.8 75.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.584 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -57.3 -51.39 69.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.638 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -48.01 -36.88 13.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.601 177.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 93.0 mtt-85 -77.84 -48.83 15.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.562 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -47.29 -44.98 23.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.496 178.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.3 t -61.51 -53.84 43.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.521 -178.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -67.3 -45.6 76.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.584 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.667 ' O ' ' N ' ' A' ' 17' ' ' GLN . 68.2 tp60 -65.63 -78.74 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.563 -179.176 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.513 ' C ' ' O ' ' A' ' 14' ' ' GLN . 0.2 OUTLIER -30.23 -48.76 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.612 -179.765 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.675 ' HZ3' ' CD1' ' A' ' 31' ' ' LEU . 62.1 mttt -60.88 -41.09 95.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.629 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.667 ' N ' ' O ' ' A' ' 14' ' ' GLN . 75.5 mt-30 -66.33 -59.93 3.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.547 178.003 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.498 ' O ' ' CG2' ' A' ' 21' ' ' THR . . . -49.69 -15.94 0.21 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.568 177.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.512 ' CD1' ' CZ ' ' A' ' 82' ' ' TYR . 5.3 mt -88.13 -50.01 6.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.595 178.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -42.47 -38.12 1.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.58 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 18' ' ' ALA . 1.2 t -64.01 -32.06 73.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.56 -179.387 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 19' ' ' LEU . 24.9 mmm-85 -72.52 -6.52 44.47 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.532 -179.271 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 106.86 25.72 6.08 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 15.0 t -106.75 169.1 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.727 0.299 . . . . 0.0 110.601 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -115.62 144.54 43.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.568 178.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.513 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 22.2 m -122.6 85.11 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.522 -178.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.493 ' HD3' ' H ' ' A' ' 29' ' ' ALA . 11.8 tmtt? -110.12 161.99 15.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.572 178.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.402 ' N ' ' HD3' ' A' ' 27' ' ' LYS . 72.4 t80 -52.14 -30.84 28.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.534 -179.535 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.493 ' H ' ' HD3' ' A' ' 27' ' ' LYS . . . -61.81 -23.1 66.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.587 179.679 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.452 ' HB2' ' HZ2' ' A' ' 16' ' ' LYS . 88.3 m-20 -73.01 -41.91 63.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.559 -178.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.675 ' CD1' ' HZ3' ' A' ' 16' ' ' LYS . 2.8 mp -60.01 -43.74 95.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.589 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.3 mt -49.58 -66.59 0.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.61 -179.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.504 ' O ' ' N ' ' A' ' 37' ' ' PHE . 87.8 tttt -69.52 -54.07 16.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.58 -178.147 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.439 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 63.4 t80 -52.1 -45.76 64.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.541 -176.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.532 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 20.5 t80 -68.62 -42.46 78.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.57 -177.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -77.33 -20.78 54.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.624 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.504 ' N ' ' O ' ' A' ' 33' ' ' LYS . 77.9 t80 -61.93 -48.84 78.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.567 -178.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.538 ' O ' ' N ' ' A' ' 42' ' ' CYS . 2.9 m -80.01 -33.0 14.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.547 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.447 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 79.6 tttt -56.8 -33.39 66.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.503 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -42.27 -62.9 0.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.595 -179.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.5 p -116.33 -0.29 12.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.535 -179.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.568 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 20.0 m 40.13 61.99 6.05 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.502 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.604 ' C ' ' H ' ' A' ' 45' ' ' PHE . 8.0 Cg_exo -71.25 -18.67 30.11 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.757 2.305 . . . . 0.0 112.168 -179.455 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -68.55 28.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.564 -178.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.628 ' O ' ' N ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER 54.01 91.85 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.587 179.344 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -54.92 -36.35 91.69 Favored 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.826 2.351 . . . . 0.0 112.141 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -85.46 -43.57 13.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.551 -178.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.415 ' C ' ' N ' ' A' ' 50' ' ' THR . 0.4 OUTLIER -85.46 -17.69 35.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.592 -178.559 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.628 ' N ' ' O ' ' A' ' 45' ' ' PHE . . . 43.67 23.31 0.33 Allowed Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -178.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.415 ' N ' ' C ' ' A' ' 48' ' ' GLU . 7.1 t -98.36 171.77 7.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.778 0.323 . . . . 0.0 110.577 -179.319 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.7 mt -90.13 141.6 14.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.545 178.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -135.29 120.29 18.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.58 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 26.9 mm -72.72 -41.29 62.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.571 -179.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -62.78 -54.69 35.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.584 -177.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 -66.1 -34.38 77.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.516 -179.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 41.1 t-105 -58.66 -36.96 74.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.561 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 77.4 mtp85 -67.86 -38.59 83.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.541 178.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.504 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 77.3 mtp85 -59.56 -52.0 67.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.604 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.2 p -63.57 -38.31 81.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.556 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -64.27 -50.21 61.35 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -69.58 -37.4 76.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.73 0.3 . . . . 0.0 110.5 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.504 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 68.1 m -62.15 -39.93 94.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.545 -179.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -82.89 -40.88 19.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.565 -179.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -63.63 -40.54 97.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.614 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -65.52 -50.99 63.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.615 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.519 ' O ' ' OG1' ' A' ' 69' ' ' THR . 61.1 t80 -63.83 -41.48 97.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.609 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -65.08 -38.85 92.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.563 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.541 ' O ' ' N ' ' A' ' 71' ' ' GLY . 90.5 m-20 -61.02 -41.4 96.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.554 -178.257 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.519 ' OG1' ' O ' ' A' ' 66' ' ' TYR . 81.0 p -46.82 -21.43 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.534 -178.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -89.93 15.67 9.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.601 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 38.65 59.44 1.62 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.396 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.407 ' HD3' ' N ' ' A' ' 71' ' ' GLY . 58.0 Cg_endo -78.07 132.61 11.71 Favored 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 122.804 2.336 . . . . 0.0 112.111 -179.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -89.38 -34.12 16.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.624 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.57 ' O ' ' C ' ' A' ' 75' ' ' VAL . 23.6 mtpt -59.93 -48.02 83.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.543 -178.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.57 ' C ' ' O ' ' A' ' 74' ' ' LYS . 72.0 t 24.11 84.87 0.11 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.572 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -56.93 124.23 15.74 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.881 2.387 . . . . 0.0 112.081 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 84.6 t -83.5 -22.86 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.599 -179.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 28.1 p -45.31 -27.34 0.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.56 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.27 -29.74 64.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.511 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.543 ' CE2' ' ND2' ' A' ' 84' ' ' ASN . 79.5 t80 -63.6 -38.98 93.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.59 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.1 m -66.59 -38.94 88.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.584 -178.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.512 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 6.5 m-85 -54.65 -52.13 63.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.569 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.577 ' N ' ' CD1' ' A' ' 83' ' ' TRP . 7.8 m0 -59.82 -41.94 92.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.545 -178.414 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.543 ' ND2' ' CE2' ' A' ' 80' ' ' PHE . 67.4 m-20 -66.23 -44.7 83.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.574 -178.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 56.9 tp -68.46 -53.85 20.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.578 -178.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.4 mt -60.28 -40.67 84.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.592 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -49.44 -50.69 39.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.532 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.438 ' C ' ' CD ' ' A' ' 88' ' ' GLU . 0.8 OUTLIER -85.4 -18.69 32.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.513 -178.469 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 41.7 tp -56.55 -42.36 78.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.629 -177.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 23.4 mt -62.45 -42.8 97.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.495 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -67.37 -11.11 56.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.518 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 70.0 tttt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.596 179.836 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.4 tp . . . . . 0 C--O 1.237 0.399 0 CA-C-O 121.146 0.498 . . . . 0.0 110.098 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.2 p -61.91 -35.38 78.19 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.079 0.466 . . . . 0.0 110.282 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -53.32 -41.86 66.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.042 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.514 ' ND1' ' CE1' ' A' ' 35' ' ' PHE . 10.6 t-160 -65.26 -43.97 89.6 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -54.13 -24.4 17.69 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.394 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.404 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 84.0 mtp180 -81.86 -52.09 7.45 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.155 179.521 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -59.37 -36.54 75.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.272 0.558 . . . . 0.0 110.051 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.9 t -65.02 -56.55 15.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 C-N-CA 120.356 -0.538 . . . . 0.0 111.266 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -70.58 -30.38 67.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.865 0.364 . . . . 0.0 111.398 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 17' ' ' GLN . 69.3 tp60 -77.02 -72.98 0.32 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.747 -179.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -41.72 -43.61 2.93 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -178.301 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -62.86 -43.36 99.0 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.201 -0.6 . . . . 0.0 110.924 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 14' ' ' GLN . 1.0 OUTLIER -50.05 -51.45 42.34 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-O 121.824 0.821 . . . . 0.0 110.165 -179.223 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.536 ' O ' ' N ' ' A' ' 21' ' ' THR . . . -60.46 -58.13 9.78 Favored 'General case' 0 C--O 1.212 -0.89 0 C-N-CA 120.149 -0.62 . . . . 0.0 109.792 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.569 ' CD1' ' CE2' ' A' ' 82' ' ' TYR . 5.3 mt -41.19 -47.48 3.31 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 123.61 0.568 . . . . 0.0 109.949 -179.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -49.61 -34.47 18.1 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.536 ' N ' ' O ' ' A' ' 18' ' ' ALA . 0.7 OUTLIER -60.9 -33.21 72.78 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.081 179.334 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.2 mmt85 -73.25 11.3 0.77 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.465 -179.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.483 ' H ' ' C ' ' A' ' 21' ' ' THR . . . 95.43 -6.51 68.25 Favored Glycine 0 N--CA 1.465 0.611 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.4 t -70.44 168.69 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 120.931 -0.308 . . . . 0.0 110.46 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -123.56 130.6 52.91 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.175 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.484 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 20.2 m -120.29 102.99 13.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 CA-C-O 121.12 0.486 . . . . 0.0 110.674 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.6 pttt -109.65 164.73 12.27 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.977 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -56.74 -36.12 69.39 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.242 0.544 . . . . 0.0 110.378 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.31 -22.45 61.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.943 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -72.46 -36.16 68.43 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.478 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.7 mp -68.21 -40.12 82.21 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.475 0.655 . . . . 0.0 110.048 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.6 mt -60.87 -39.98 91.24 Favored 'General case' 0 C--N 1.313 -1.011 0 C-N-CA 119.955 -0.698 . . . . 0.0 111.261 -179.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -85.26 -49.18 8.4 Favored 'General case' 0 C--O 1.215 -0.733 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.859 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.448 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 82.2 t80 -61.65 -39.28 90.77 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.106 0.479 . . . . 0.0 112.247 -179.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.514 ' CE1' ' ND1' ' A' ' 8' ' ' HIS . 1.8 t80 -76.13 -51.62 11.82 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.554 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -64.07 -30.4 71.47 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 121.099 0.476 . . . . 0.0 110.94 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -59.88 -49.7 76.65 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.845 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.582 ' O ' ' N ' ' A' ' 42' ' ' CYS . 0.0 OUTLIER -66.7 -35.72 75.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.169 -0.612 . . . . 0.0 110.675 179.833 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.5 mttt -52.71 -34.7 53.6 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.792 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -46.02 -64.19 0.8 Allowed 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.496 -0.482 . . . . 0.0 111.438 -179.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.2 p -111.98 -25.22 9.5 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.944 0.402 . . . . 0.0 111.383 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.582 ' N ' ' O ' ' A' ' 38' ' ' VAL . 1.3 m 57.39 50.44 4.3 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-O 121.374 0.607 . . . . 0.0 110.253 -179.381 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.56 ' C ' ' H ' ' A' ' 45' ' ' PHE . 62.2 Cg_endo -78.83 -21.17 9.89 Favored 'Trans proline' 0 C--N 1.308 -1.564 0 C-N-CA 122.129 1.886 . . . . 0.0 112.635 -179.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.626 ' CZ3' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -71.1 23.66 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.291 -179.614 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.56 ' H ' ' C ' ' A' ' 43' ' ' PRO . 10.0 m-85 40.67 74.82 0.67 Allowed Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.532 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -75.53 -11.23 20.55 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.545 2.163 . . . . 0.0 112.202 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -66.8 -56.37 10.75 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.471 -0.491 . . . . 0.0 110.466 -179.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -94.1 -14.71 25.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.022 0.439 . . . . 0.0 110.299 178.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.06 71.6 0.85 Allowed Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.9 t -125.61 169.32 12.6 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 110.476 -0.194 . . . . 0.0 110.476 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -113.0 142.62 24.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.779 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -144.25 121.6 11.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.685 0.279 . . . . 0.0 110.315 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.416 HD13 HG22 ' A' ' 53' ' ' ILE . 25.4 mm -71.01 -41.13 76.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.891 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -63.62 -58.31 7.34 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.83 -178.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -63.33 -35.9 81.92 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.508 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.626 ' CZ3' ' CZ3' ' A' ' 44' ' ' TRP . 21.5 t-105 -58.66 -40.18 82.75 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.952 -179.356 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 79.6 ttt-85 -65.2 -39.54 92.96 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.024 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.532 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 95.5 mtt-85 -58.76 -53.17 61.38 Favored 'General case' 0 C--O 1.226 -0.161 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.293 -179.366 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.7 p -64.47 -36.48 77.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.688 179.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.55 -54.11 36.5 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 120.628 -0.796 . . . . 0.0 111.748 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -70.49 -36.88 74.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.871 0.367 . . . . 0.0 111.13 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.532 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 91.0 m -63.1 -40.46 97.72 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.426 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -85.04 -46.32 11.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.303 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -60.21 -27.79 67.46 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.811 -179.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -76.63 -58.25 3.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.9 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.453 ' O ' ' OG1' ' A' ' 69' ' ' THR . 22.9 m-85 -64.43 -40.5 95.88 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.069 0.461 . . . . 0.0 111.493 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -62.98 -47.11 84.56 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -64.21 -39.25 93.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.743 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' A' ' 66' ' ' TYR . 51.5 p -58.25 -24.84 60.68 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.105 -179.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -115.34 8.07 15.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.251 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -148.93 -160.31 9.03 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -64.97 141.01 68.74 Favored 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 123.338 2.692 . . . . 0.0 111.757 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -82.33 -37.16 26.14 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.066 0.46 . . . . 0.0 110.027 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.561 ' O ' ' O ' ' A' ' 75' ' ' VAL . 35.8 mmtt -72.01 -45.94 59.01 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.637 -178.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.561 ' O ' ' O ' ' A' ' 74' ' ' LYS . 0.1 OUTLIER 44.04 169.95 0.0 OUTLIER Pre-proline 0 CA--C 1.546 0.794 0 O-C-N 124.543 1.152 . . . . 0.0 111.857 179.496 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -57.44 124.82 17.02 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 120.567 0.845 . . . . 0.0 111.446 178.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 46.5 t -84.99 -14.78 11.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.136 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 47.1 p -44.49 -24.7 0.2 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.059 0.457 . . . . 0.0 110.67 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.414 ' O ' ' CE2' ' A' ' 83' ' ' TRP . . . -58.87 -17.43 23.96 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.877 179.325 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -66.74 -42.33 86.4 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.175 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.4 m -61.9 -39.33 91.6 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 120.868 0.366 . . . . 0.0 110.756 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.569 ' CE2' ' CD1' ' A' ' 19' ' ' LEU . 14.5 m-85 -59.32 -50.16 75.04 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.94 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.594 ' N ' ' CD1' ' A' ' 83' ' ' TRP . 6.7 m0 -58.1 -40.84 82.2 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.764 -0.374 . . . . 0.0 111.278 -179.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -64.5 -46.13 84.31 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.763 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 60.5 tp -69.8 -51.87 30.02 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.753 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -59.8 -35.44 60.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 C-N-CA 120.602 -0.439 . . . . 0.0 109.9 -179.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 68.8 tttt -58.19 -45.85 86.83 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.56 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -84.59 -17.54 38.43 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.76 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 30.3 tp -64.15 -43.21 95.92 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -176.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 7.3 mt -62.54 -42.47 95.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.765 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -49.25 -34.07 14.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.364 -178.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 C--N 1.326 -0.45 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.261 179.602 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.437 ' CD1' ' N ' ' A' ' 6' ' ' SER . 2.0 tm? . . . . . 0 CA--C 1.509 -0.611 0 CA-C-O 120.431 0.157 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.437 ' N ' ' CD1' ' A' ' 5' ' ' LEU . 24.3 p -43.37 -44.62 5.74 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.756 -177.069 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.487 ' O ' ' CB ' ' A' ' 11' ' ' TYR . 44.0 tt0 -48.63 -60.93 2.31 Favored 'General case' 0 C--O 1.214 -0.766 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.076 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 49.6 m170 -52.3 -41.52 63.0 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.387 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -65.51 -62.76 1.34 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.977 -179.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -67.08 -45.96 75.71 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.758 -178.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.487 ' CB ' ' O ' ' A' ' 7' ' ' GLN . 45.8 t80 -49.82 -56.17 11.4 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.157 0.504 . . . . 0.0 110.39 -179.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.49 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 5.7 t -60.77 -61.44 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 C-N-CA 119.862 -0.735 . . . . 0.0 112.182 -179.23 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -58.11 -47.47 83.17 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.609 -0.437 . . . . 0.0 111.941 -178.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.527 ' O ' ' N ' ' A' ' 17' ' ' GLN . 73.0 tp60 -68.29 -75.4 0.1 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.663 -178.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 14' ' ' GLN . 0.2 OUTLIER -38.33 -48.98 1.38 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 123.671 0.607 . . . . 0.0 110.164 -177.61 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' A' ' 12' ' ' VAL . 25.9 mmtt -62.75 -38.48 90.73 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.813 0.339 . . . . 0.0 110.28 179.031 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.527 ' N ' ' O ' ' A' ' 14' ' ' GLN . 68.4 tp60 -70.42 -59.54 2.8 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.168 179.535 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.465 ' O ' ' CG2' ' A' ' 21' ' ' THR . . . -44.52 -20.85 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.024 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 22' ' ' ARG . 7.6 mt -85.01 -51.29 6.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.342 178.185 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -44.32 -41.07 5.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.894 -178.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.465 ' CG2' ' O ' ' A' ' 18' ' ' ALA . 0.8 OUTLIER -60.84 -29.94 69.81 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.397 -179.726 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 19' ' ' LEU . 58.0 mtt180 -80.85 14.11 2.34 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.699 -0.401 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.47 25.24 36.7 Favored Glycine 0 N--CA 1.468 0.793 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.409 ' CG1' ' N ' ' A' ' 25' ' ' LYS . 20.9 t -101.35 169.41 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 121.101 -0.24 . . . . 0.0 110.46 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.409 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 99.0 mttt -114.66 148.62 37.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.582 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.48 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 30.6 m -111.37 88.11 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.952 0.406 . . . . 0.0 110.729 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.9 pttt -109.4 163.19 13.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.88 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -64.99 -37.93 89.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.617 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.81 -25.73 61.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.126 -179.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -72.67 -39.11 67.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.827 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.482 ' O ' ' CB ' ' A' ' 35' ' ' PHE . 0.7 OUTLIER -63.59 -41.85 98.31 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.358 0.599 . . . . 0.0 110.309 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.9 mt -49.82 -56.5 10.16 Favored 'General case' 0 C--N 1.31 -1.124 0 C-N-CA 119.649 -0.82 . . . . 0.0 111.249 -178.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -74.27 -52.16 13.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.717 -178.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.469 ' CE1' ' OH ' ' A' ' 11' ' ' TYR . 14.3 t80 -59.37 -41.0 88.26 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -178.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.482 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 7.2 t80 -67.91 -46.65 70.97 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.793 178.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -71.85 -21.38 61.68 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.86 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -65.39 -57.76 7.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.828 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.54 ' O ' ' N ' ' A' ' 42' ' ' CYS . 2.5 m -71.18 -38.94 72.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.105 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -53.86 -34.93 60.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.605 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -41.44 -62.53 0.85 Allowed 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.916 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.453 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 12.9 p -114.67 2.13 14.39 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.198 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.54 ' N ' ' O ' ' A' ' 38' ' ' VAL . 11.1 p 36.02 62.45 2.74 Favored Pre-proline 0 N--CA 1.463 0.218 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.601 -178.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.559 ' C ' ' H ' ' A' ' 45' ' ' PHE . 6.8 Cg_exo -70.85 -15.26 33.03 Favored 'Trans proline' 0 C--N 1.309 -1.507 0 C-N-CA 122.987 2.458 . . . . 0.0 112.273 -179.269 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -70.11 22.6 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.212 0.53 . . . . 0.0 111.258 -179.183 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.559 ' H ' ' C ' ' A' ' 43' ' ' PRO . 2.4 m-85 52.76 91.39 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.183 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -73.59 -6.15 18.25 Favored 'Trans proline' 0 C--N 1.313 -1.301 0 C-N-CA 122.349 2.033 . . . . 0.0 112.416 -179.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -83.0 -57.0 3.47 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.222 -0.591 . . . . 0.0 110.971 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -92.95 -17.57 23.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.817 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 63.49 73.83 0.5 Allowed Glycine 0 CA--C 1.527 0.837 0 N-CA-C 110.328 -1.109 . . . . 0.0 110.328 -178.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.537 ' HG1' ' H ' ' A' ' 51' ' ' ILE . 6.1 t -150.72 169.74 20.89 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.896 0.379 . . . . 0.0 110.938 -179.371 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.537 ' H ' ' HG1' ' A' ' 50' ' ' THR . 2.0 mt -87.53 151.36 3.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.071 179.311 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -140.35 122.13 15.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.821 0.344 . . . . 0.0 110.288 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.413 HG23 HD11 ' A' ' 53' ' ' ILE . 35.9 mm -70.21 -41.62 78.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.139 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -62.89 -54.37 39.65 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.13 0.491 . . . . 0.0 111.543 -178.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -66.01 -35.68 81.22 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.334 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 35.1 t-105 -55.79 -37.32 68.45 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 121.209 0.528 . . . . 0.0 110.579 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -68.21 -40.25 82.16 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.93 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.434 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 45.9 mtm-85 -60.06 -49.65 76.84 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.56 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.0 p -66.32 -43.11 91.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 CA-C-O 120.96 0.409 . . . . 0.0 110.41 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -60.58 -48.92 83.79 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 -179.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.444 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 63.7 t0 -70.46 -38.72 74.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.968 0.413 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.434 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 17.4 m -57.34 -43.47 83.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.695 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -75.97 -35.4 59.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.802 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -62.63 -47.64 82.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.796 -179.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -61.18 -50.88 71.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.728 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.472 ' O ' ' OG1' ' A' ' 69' ' ' THR . 3.7 m-85 -61.37 -44.64 96.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.954 0.407 . . . . 0.0 110.845 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -62.42 -37.51 86.12 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.477 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.409 ' O ' ' N ' ' A' ' 71' ' ' GLY . 93.3 m-20 -61.91 -39.8 93.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.406 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.472 ' OG1' ' O ' ' A' ' 66' ' ' TYR . 64.1 p -50.31 -29.56 10.07 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.578 -179.38 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -79.01 13.3 1.81 Allowed 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.692 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 40.34 58.32 2.47 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.216 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -78.36 131.08 10.41 Favored 'Trans proline' 0 C--N 1.309 -1.542 0 C-N-CA 122.806 2.337 . . . . 0.0 112.332 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -87.65 -34.15 18.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.121 0.486 . . . . 0.0 110.881 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 75' ' ' VAL . 49.5 mmtt -61.85 -46.6 88.75 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.071 -178.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.464 ' C ' ' O ' ' A' ' 74' ' ' LYS . 76.9 t 29.67 80.13 0.24 Allowed Pre-proline 0 N--CA 1.466 0.342 0 O-C-N 123.607 0.567 . . . . 0.0 111.115 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -56.01 125.83 20.37 Favored 'Trans proline' 0 C--N 1.311 -1.423 0 C-N-CA 121.872 1.715 . . . . 0.0 111.54 -178.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 79' ' ' ALA . 87.4 t -82.39 -19.11 10.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.887 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 67.4 p -42.08 -24.68 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.693 -179.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 77' ' ' VAL . . . -56.5 -22.97 36.3 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.78 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -68.48 -40.51 80.94 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.868 179.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 32.6 m -63.18 -41.59 99.23 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.915 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -58.41 -47.51 83.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.781 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 56.2 t-105 -56.22 -48.54 76.25 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.513 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -66.67 -40.17 88.46 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.746 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 61.1 tp -67.53 -65.28 0.71 Allowed 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 120.972 0.415 . . . . 0.0 111.037 -179.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -52.55 -31.93 16.27 Favored 'Isoleucine or valine' 0 C--O 1.241 0.631 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.204 -179.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 46.6 tttt -59.57 -41.79 91.02 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.278 -179.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.23 -19.15 34.43 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-O 120.809 0.338 . . . . 0.0 111.568 179.537 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.17 -46.51 90.22 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 119.887 -0.725 . . . . 0.0 110.124 -177.062 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 92' ' ' LYS . 16.2 mt -64.07 -42.19 94.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 C-N-CA 120.066 -0.653 . . . . 0.0 110.822 -179.272 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -41.4 -23.91 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.798 -177.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 90' ' ' ILE . 98.3 mttt . . . . . 0 C--N 1.327 -0.405 0 C-N-CA 120.766 -0.373 . . . . 0.0 110.401 179.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 32.7 tp . . . . . 0 C--O 1.238 0.486 0 CA-C-O 121.195 0.521 . . . . 0.0 110.418 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.7 m -56.08 -35.62 67.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.209 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -53.67 -45.03 70.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.307 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 -58.36 -48.13 81.58 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.777 0.323 . . . . 0.0 110.197 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.442 ' O ' ' OE2' ' A' ' 13' ' ' GLU . 79.1 tt0 -47.53 -34.42 7.59 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.194 0.521 . . . . 0.0 110.197 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 87.0 mtt-85 -79.31 -45.24 20.05 Favored 'General case' 0 C--O 1.217 -0.65 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.108 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -55.26 -44.85 75.97 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.146 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.9 t -60.49 -52.84 56.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.737 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.532 ' OE2' ' N ' ' A' ' 13' ' ' GLU . 7.2 mp0 -67.0 -37.08 83.56 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.993 0.425 . . . . 0.0 111.057 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.541 ' O ' ' N ' ' A' ' 17' ' ' GLN . 71.0 tp60 -71.25 -74.01 0.16 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.284 -179.454 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.446 ' C ' ' O ' ' A' ' 14' ' ' GLN . 0.2 OUTLIER -37.61 -48.33 1.02 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.077 0.465 . . . . 0.0 110.147 -178.588 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.553 ' HZ3' ' CD1' ' A' ' 31' ' ' LEU . 65.8 mttt -61.23 -40.57 94.51 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.708 178.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.541 ' N ' ' O ' ' A' ' 14' ' ' GLN . 13.1 mm-40 -64.45 -57.51 9.06 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.278 0.561 . . . . 0.0 109.492 179.527 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.22 -14.45 1.15 Allowed 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.811 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.612 ' CD1' ' CZ ' ' A' ' 82' ' ' TYR . 3.2 mt -85.16 -50.26 7.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.425 178.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -43.57 -33.15 1.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.118 -179.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.3 t -61.01 -35.12 76.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.598 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 19' ' ' LEU . 61.1 mtp85 -72.34 -10.01 59.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.58 -179.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 106.65 29.93 4.51 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.8 t -106.18 168.34 2.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 121.128 -0.229 . . . . 0.0 110.409 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -115.68 138.01 51.52 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.381 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.524 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 14.4 m -110.03 91.63 1.8 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-O 121.44 0.638 . . . . 0.0 110.834 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.2 pttt -109.74 165.27 11.82 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.057 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -63.94 -36.76 85.0 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.18 0.515 . . . . 0.0 110.239 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.36 -24.35 63.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.647 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -72.03 -40.58 68.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.698 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.553 ' CD1' ' HZ3' ' A' ' 16' ' ' LYS . 2.3 mp -61.54 -39.34 90.72 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.001 0.429 . . . . 0.0 110.308 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 49.1 mt -56.06 -46.17 79.02 Favored 'General case' 0 C--N 1.31 -1.136 0 C-N-CA 120.055 -0.658 . . . . 0.0 110.962 -178.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.466 ' O ' ' CB ' ' A' ' 37' ' ' PHE . 88.2 tttt -80.55 -53.36 6.63 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -178.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.605 ' CZ ' ' CE1' ' A' ' 82' ' ' TYR . 0.9 OUTLIER -60.92 -37.96 84.08 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -178.323 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.474 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 6.9 t80 -72.38 -51.2 21.55 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.981 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -72.89 -20.21 61.13 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.449 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.466 ' CB ' ' O ' ' A' ' 33' ' ' LYS . 1.7 t80 -63.45 -61.32 2.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.044 -178.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.514 ' O ' ' N ' ' A' ' 42' ' ' CYS . 1.0 OUTLIER -68.15 -32.37 55.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.935 179.734 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -58.29 -36.48 73.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.616 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -41.58 -61.12 1.13 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.704 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.482 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 12.9 p -105.0 -6.77 19.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.752 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.514 ' N ' ' O ' ' A' ' 38' ' ' VAL . 19.5 p 38.9 57.61 5.71 Favored Pre-proline 0 C--N 1.332 -0.155 0 CA-C-O 121.072 0.463 . . . . 0.0 110.728 -179.307 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.533 ' C ' ' H ' ' A' ' 45' ' ' PHE . 65.3 Cg_endo -78.13 -17.14 13.62 Favored 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 122.559 2.173 . . . . 0.0 112.195 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.423 ' HE1' HG23 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -70.8 19.75 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.119 -179.503 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.533 ' H ' ' C ' ' A' ' 43' ' ' PRO . 2.9 m-85 54.28 85.05 0.2 Allowed Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.174 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -70.71 -8.73 24.28 Favored 'Trans proline' 0 C--N 1.31 -1.49 0 C-N-CA 122.746 2.297 . . . . 0.0 112.153 -178.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -81.21 -57.25 3.59 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.486 -0.486 . . . . 0.0 110.678 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -92.52 -24.45 18.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.814 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 64.91 71.06 0.93 Allowed Glycine 0 CA--C 1.527 0.784 0 N-CA-C 110.259 -1.137 . . . . 0.0 110.259 -178.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.499 ' HG1' ' N ' ' A' ' 51' ' ' ILE . 13.5 t -131.61 169.95 15.42 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 120.804 0.335 . . . . 0.0 111.023 -179.371 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.499 ' N ' ' HG1' ' A' ' 50' ' ' THR . 1.1 mt -103.5 143.25 15.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.138 -179.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -137.79 121.0 16.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.097 0.475 . . . . 0.0 110.132 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.419 HD13 HG21 ' A' ' 53' ' ' ILE . 29.7 mm -70.89 -41.41 77.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.833 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -66.56 -51.86 51.94 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.081 -179.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 36.8 ttm-85 -62.07 -41.78 98.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.228 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 23.8 t-105 -52.63 -37.99 59.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.593 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -64.35 -41.89 96.52 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.327 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.474 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 94.0 mtt-85 -58.74 -53.44 58.34 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.987 -179.37 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.1 p -64.09 -38.26 81.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.408 179.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -61.87 -48.25 84.99 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -69.38 -36.99 77.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.888 0.375 . . . . 0.0 110.783 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.474 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 90.4 m -63.39 -36.23 83.02 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.686 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -83.16 -41.98 17.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.965 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -63.37 -39.55 94.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.386 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -66.54 -52.1 49.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.765 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.462 ' O ' ' OG1' ' A' ' 69' ' ' THR . 64.6 t80 -62.48 -42.1 99.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.595 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -68.73 -39.38 80.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.818 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.474 ' O ' ' N ' ' A' ' 71' ' ' GLY . 29.6 t30 -62.04 -40.68 96.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.196 -179.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' A' ' 66' ' ' TYR . 73.5 p -48.67 -20.5 0.47 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.821 -179.433 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -90.47 15.06 11.44 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.785 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 40.18 58.98 2.27 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.728 -0.949 . . . . 0.0 110.728 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.415 ' HD3' ' N ' ' A' ' 71' ' ' GLY . 56.7 Cg_endo -78.85 125.74 6.84 Favored 'Trans proline' 0 C--N 1.309 -1.545 0 C-N-CA 122.856 2.371 . . . . 0.0 112.287 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -85.94 -25.35 26.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.554 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.492 ' O ' ' C ' ' A' ' 75' ' ' VAL . 53.2 mmtt -67.04 -47.35 71.64 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.953 -179.166 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.492 ' C ' ' O ' ' A' ' 74' ' ' LYS . 98.5 t 26.89 82.73 0.18 Allowed Pre-proline 0 N--CA 1.463 0.179 0 O-C-N 123.889 0.743 . . . . 0.0 110.915 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -57.16 126.84 23.42 Favored 'Trans proline' 0 C--N 1.308 -1.596 0 C-N-CA 122.527 2.152 . . . . 0.0 111.494 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 43.9 t -81.63 -19.5 11.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.887 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 30.5 p -45.3 -31.41 1.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.179 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.76 -29.94 65.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.125 0.488 . . . . 0.0 110.712 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -73.44 -36.92 65.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.962 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.7 m -65.2 -39.74 93.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.488 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.612 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 6.5 m-85 -61.22 -50.89 71.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.59 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 33.7 t90 -56.27 -39.3 72.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.986 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -61.99 -54.89 35.3 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.229 -179.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 57.7 tp -63.56 -47.98 79.32 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.99 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -60.37 -40.4 83.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.517 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 49.2 tttt -52.93 -47.52 67.97 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.669 -178.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.12 -17.73 39.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.649 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 37.1 tp -60.23 -41.68 93.62 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.707 -176.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 37.1 mt -62.26 -42.49 95.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.408 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -57.75 -17.34 14.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.553 -179.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 71.9 tttt . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.423 179.863 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 51.0 tp . . . . . 0 C--O 1.24 0.591 0 CA-C-O 121.057 0.456 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.4 p -57.72 -32.01 66.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.207 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -54.53 -41.72 70.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.093 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -63.45 -47.2 82.81 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.306 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -45.58 -34.13 3.19 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.547 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -76.53 -46.61 25.78 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.189 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -50.9 -45.14 60.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.482 -179.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.506 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 15.5 t -63.25 -46.65 95.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.827 0.346 . . . . 0.0 110.845 179.399 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -66.73 -39.58 88.04 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.696 -0.401 . . . . 0.0 110.364 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.522 ' O ' ' N ' ' A' ' 17' ' ' GLN . 72.0 tp60 -74.06 -73.28 0.23 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.391 -178.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 14' ' ' GLN . 0.2 OUTLIER -37.37 -51.37 1.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.662 -178.826 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.506 ' CG ' ' O ' ' A' ' 12' ' ' VAL . 5.2 mmpp? -60.33 -37.7 81.45 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.603 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.522 ' N ' ' O ' ' A' ' 14' ' ' GLN . 46.7 mt-30 -68.62 -57.09 6.24 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.33 179.304 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.69 -16.83 1.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.345 179.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.407 ' CD1' ' CZ ' ' A' ' 82' ' ' TYR . 10.3 mt -84.22 -51.73 6.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.1 178.594 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -46.1 -42.14 13.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.508 -179.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.468 ' C ' ' H ' ' A' ' 23' ' ' GLY . 1.7 t -66.19 -30.22 70.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.748 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.4 mmm-85 -75.63 15.81 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.468 ' H ' ' C ' ' A' ' 21' ' ' THR . . . 80.5 25.25 57.2 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.447 ' CG1' ' N ' ' A' ' 25' ' ' LYS . 26.3 t -106.31 169.93 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.719 0.295 . . . . 0.0 110.777 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.447 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 99.1 mttt -132.22 137.1 47.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.302 179.199 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.8 t -123.06 98.73 5.88 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.927 -179.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.535 ' HG2' ' H ' ' A' ' 28' ' ' TYR . 10.3 ttmt -91.33 164.46 13.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.227 178.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.535 ' H ' ' HG2' ' A' ' 27' ' ' LYS . 92.5 t80 -50.6 -45.55 57.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.722 0.296 . . . . 0.0 110.663 179.665 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.32 -21.52 66.31 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.556 178.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -66.85 -45.11 79.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.76 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.51 ' O ' ' HB2' ' A' ' 35' ' ' PHE . 5.5 mp -64.39 -40.83 96.58 Favored 'General case' 0 C--O 1.208 -1.083 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.974 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.3 mt -57.71 -44.52 85.99 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.768 -179.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -74.25 -51.83 14.15 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.03 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.465 ' CE2' ' CE1' ' A' ' 82' ' ' TYR . 44.6 t80 -62.7 -37.59 87.1 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.337 -178.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.51 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 2.8 t80 -71.6 -46.32 59.55 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.88 179.332 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -71.78 -21.24 61.75 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.107 0.48 . . . . 0.0 110.385 -179.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.67 -59.65 3.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.091 -179.317 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.542 ' O ' ' N ' ' A' ' 42' ' ' CYS . 2.9 m -69.81 -38.5 76.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.032 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -57.52 -31.44 66.06 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.439 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -44.74 -60.82 1.83 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.682 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 42' ' ' CYS . 19.5 p -112.15 -1.96 15.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.749 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.542 ' N ' ' O ' ' A' ' 38' ' ' VAL . 23.1 t 36.68 65.64 2.21 Favored Pre-proline 0 C--O 1.221 -0.422 0 CA-C-O 121.234 0.54 . . . . 0.0 110.669 -179.221 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.562 ' C ' ' H ' ' A' ' 45' ' ' PHE . 11.9 Cg_exo -68.44 -19.86 42.57 Favored 'Trans proline' 0 C--N 1.297 -2.183 0 C-N-CA 123.118 2.545 . . . . 0.0 112.141 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.413 ' CD1' ' O ' ' A' ' 50' ' ' THR . 1.2 m-90 -70.68 22.81 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.77 -179.652 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.562 ' H ' ' C ' ' A' ' 43' ' ' PRO . 6.1 m-85 55.43 96.43 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.288 179.652 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -67.75 -7.84 20.67 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 123.003 2.469 . . . . 0.0 112.089 -178.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -85.74 -58.48 2.64 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.049 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -93.4 -22.22 19.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.948 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 59.48 75.8 0.25 Allowed Glycine 0 CA--C 1.527 0.786 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 -178.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.413 ' O ' ' CD1' ' A' ' 44' ' ' TRP . 12.4 t -139.77 169.09 18.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.814 0.34 . . . . 0.0 110.791 -179.337 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.4 mt -90.88 141.12 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.064 179.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -135.88 123.07 21.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.258 0.551 . . . . 0.0 110.614 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.465 HD11 HG21 ' A' ' 53' ' ' ILE . 40.3 mm -71.55 -39.92 70.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.919 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -66.51 -53.65 32.6 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.304 -178.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.545 ' NE ' ' CE2' ' A' ' 45' ' ' PHE . 93.4 mtt-85 -63.12 -34.79 78.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.701 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 35.5 t-105 -55.08 -38.87 68.64 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.2 0.524 . . . . 0.0 110.443 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -66.95 -38.98 87.13 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.312 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.508 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 23.7 mmt180 -59.81 -51.83 68.07 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -179.686 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.2 p -64.14 -42.45 95.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.475 179.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -60.38 -43.92 98.14 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -71.73 -35.99 70.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.71 0.29 . . . . 0.0 110.422 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.508 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 89.0 m -64.56 -39.4 93.68 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.721 -179.646 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -78.94 -43.19 25.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.042 179.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.742 HE21 HD22 ' A' ' 68' ' ' ASN . 50.3 tp60 -64.22 -37.92 89.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.335 -179.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -64.38 -52.6 57.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.712 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.475 ' O ' ' OG1' ' A' ' 69' ' ' THR . 6.3 m-85 -65.55 -39.03 91.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.724 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -65.96 -39.4 90.39 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.655 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.742 HD22 HE21 ' A' ' 64' ' ' GLN . 1.6 m120 -62.29 -42.07 99.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.086 -178.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.475 ' OG1' ' O ' ' A' ' 66' ' ' TYR . 81.2 p -48.4 -26.79 2.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.342 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -82.95 14.47 3.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.76 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 38.0 59.31 1.45 Allowed Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -78.02 130.12 10.15 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.851 2.367 . . . . 0.0 112.178 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -88.53 -27.03 21.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.632 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.518 ' O ' ' C ' ' A' ' 75' ' ' VAL . 9.8 mptt -67.31 -47.36 70.81 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 -178.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.518 ' C ' ' O ' ' A' ' 74' ' ' LYS . 94.8 t 27.16 78.7 0.24 Allowed Pre-proline 0 C--O 1.233 0.186 0 O-C-N 123.725 0.641 . . . . 0.0 110.812 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -55.66 125.75 20.14 Favored 'Trans proline' 0 C--N 1.308 -1.57 0 C-N-CA 122.534 2.156 . . . . 0.0 111.667 -179.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 92.6 t -81.99 -19.67 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.026 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 70.7 p -44.85 -26.36 0.4 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.407 -179.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.2 -24.0 51.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.683 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.411 ' CE1' ' ND2' ' A' ' 84' ' ' ASN . 40.1 t80 -67.05 -38.16 85.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 179.608 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 44.6 m -61.97 -39.69 93.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.843 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.465 ' CE1' ' CE2' ' A' ' 34' ' ' PHE . 30.4 m-85 -60.75 -48.57 81.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.743 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.42 ' CE3' ' OD1' ' A' ' 84' ' ' ASN . 37.2 t90 -56.17 -50.14 72.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.896 -179.582 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.42 ' OD1' ' CE3' ' A' ' 83' ' ' TRP . 89.1 m-20 -65.77 -40.69 92.29 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.347 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 63.4 tp -66.62 -64.78 0.78 Allowed 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.238 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -51.86 -34.71 17.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.1 0.476 . . . . 0.0 110.3 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 42.1 tttt -57.12 -43.55 82.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.671 -178.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.434 ' OE2' ' O ' ' A' ' 88' ' ' GLU . 0.5 OUTLIER -82.87 -20.02 36.34 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.657 -179.574 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.56 -45.62 93.23 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.189 -177.53 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 7.3 mt -62.24 -43.51 98.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.135 -179.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -55.65 -38.23 69.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.457 -179.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.587 179.784 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 35.1 tp . . . . . 0 C--O 1.242 0.672 0 CA-C-O 121.322 0.582 . . . . 0.0 110.52 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.2 m -52.17 -33.63 41.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.101 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 67.6 tp60 -53.38 -43.09 67.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.268 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -61.02 -48.76 80.28 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.259 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -49.46 -31.52 10.07 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-O 121.532 0.682 . . . . 0.0 110.626 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 76.3 mmt-85 -82.5 -48.78 10.65 Favored 'General case' 0 C--O 1.213 -0.845 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.024 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -52.87 -42.05 64.88 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.946 0.403 . . . . 0.0 110.168 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.1 t -62.09 -51.4 72.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 C-N-CA 120.621 -0.431 . . . . 0.0 110.825 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -67.8 -38.36 83.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.628 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.581 ' O ' ' N ' ' A' ' 17' ' ' GLN . 66.3 tp60 -71.27 -73.3 0.18 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.637 -179.442 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' A' ' 14' ' ' GLN . 0.2 OUTLIER -37.29 -44.6 0.61 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.949 0.404 . . . . 0.0 110.159 -178.715 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.64 ' HZ2' ' CD1' ' A' ' 31' ' ' LEU . 75.4 mttt -62.12 -39.89 94.07 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.05 0.453 . . . . 0.0 110.942 178.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.581 ' N ' ' O ' ' A' ' 14' ' ' GLN . 61.5 mt-30 -64.39 -57.12 10.22 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.779 179.035 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.5 ' O ' ' CG2' ' A' ' 21' ' ' THR . . . -55.61 -15.49 2.99 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.419 0.628 . . . . 0.0 110.289 179.141 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 22' ' ' ARG . 8.8 mt -87.88 -53.11 4.92 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.307 178.378 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -41.19 -38.78 1.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.834 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.5 ' CG2' ' O ' ' A' ' 18' ' ' ALA . 0.6 OUTLIER -60.91 -34.84 75.29 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.74 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 19' ' ' LEU . 15.0 mmm180 -69.39 -9.51 53.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.728 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.09 29.52 4.54 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.1 t -106.98 167.05 3.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.532 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -110.56 147.55 33.96 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.346 179.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.518 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 16.4 m -129.02 85.88 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 121.392 0.615 . . . . 0.0 110.683 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.462 ' HD3' ' H ' ' A' ' 29' ' ' ALA . 11.0 tmtt? -109.84 165.41 11.72 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.945 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -53.97 -41.76 68.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 110.605 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.462 ' H ' ' HD3' ' A' ' 27' ' ' LYS . . . -57.26 -22.55 42.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.102 0.477 . . . . 0.0 110.598 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.444 ' HB3' ' HZ1' ' A' ' 16' ' ' LYS . 48.6 t0 -71.33 -40.79 70.51 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.615 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.64 ' CD1' ' HZ2' ' A' ' 16' ' ' LYS . 4.2 mp -64.73 -42.54 95.15 Favored 'General case' 0 C--O 1.211 -0.926 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.199 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.5 mt -58.14 -50.25 74.14 Favored 'General case' 0 C--N 1.317 -0.848 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.007 -178.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -74.15 -52.85 11.24 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.181 -178.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -61.01 -41.68 96.99 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.08 -177.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.498 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 6.4 t80 -72.96 -43.38 62.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.898 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.462 ' O ' ' OD1' ' A' ' 36' ' ' ASP . 65.7 t0 -68.79 -34.82 76.18 Favored 'General case' 0 N--CA 1.458 -0.066 0 CA-C-O 121.039 0.447 . . . . 0.0 110.65 -179.099 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -57.07 -50.65 72.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.004 -178.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.54 ' O ' ' N ' ' A' ' 42' ' ' CYS . 14.3 m -71.31 -41.5 74.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.975 179.557 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.405 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 86.7 tttt -60.41 -25.59 66.05 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.418 -179.563 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -55.51 -55.76 28.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.043 -178.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.3 p -113.05 -3.2 14.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.845 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.54 ' N ' ' O ' ' A' ' 38' ' ' VAL . 3.0 m 39.48 60.97 5.93 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.602 -179.124 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.458 ' C ' ' H ' ' A' ' 45' ' ' PHE . 58.8 Cg_endo -80.77 -12.69 12.13 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.901 2.401 . . . . 0.0 112.505 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -77.76 21.98 0.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.831 -179.199 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.463 ' CE2' ' NE ' ' A' ' 55' ' ' ARG . 4.8 m-85 54.16 82.24 0.25 Allowed Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.391 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -69.65 -5.56 16.42 Favored 'Trans proline' 0 C--N 1.31 -1.492 0 C-N-CA 122.836 2.358 . . . . 0.0 112.131 -178.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -83.18 -57.13 3.4 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.544 -179.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -91.85 -23.4 19.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.764 178.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.89 73.48 0.61 Allowed Glycine 0 CA--C 1.528 0.846 0 N-CA-C 110.656 -0.977 . . . . 0.0 110.656 -178.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.9 t -141.93 169.29 17.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.783 0.325 . . . . 0.0 110.768 -179.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.2 mt -90.43 143.85 10.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.101 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -140.16 120.36 13.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.286 0.565 . . . . 0.0 110.252 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.444 HD11 HG23 ' A' ' 53' ' ' ILE . 31.0 mm -72.6 -40.69 62.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.085 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -63.01 -56.66 15.07 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.22 -178.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.463 ' NE ' ' CE2' ' A' ' 45' ' ' PHE . 94.9 mtt-85 -62.92 -34.51 77.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.727 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 25.4 t-105 -57.1 -36.05 70.15 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 121.103 0.478 . . . . 0.0 110.538 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 76.6 ttt-85 -68.02 -41.17 82.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.333 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.506 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 84.2 mtt85 -58.48 -50.8 72.42 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.353 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.2 p -64.19 -37.04 78.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.606 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -63.31 -45.71 94.5 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -71.12 -40.32 71.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.886 0.374 . . . . 0.0 110.631 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.506 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 89.1 m -60.52 -37.16 80.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.717 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -83.88 -38.85 20.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.973 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -63.37 -42.09 98.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.771 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.461 ' CG ' ' N ' ' A' ' 66' ' ' TYR . 0.6 OUTLIER -69.5 -44.53 70.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.672 -179.667 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.478 ' O ' ' OG1' ' A' ' 69' ' ' THR . 59.2 t80 -66.72 -43.72 83.5 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.668 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.404 ' CE2' ' CG ' ' A' ' 72' ' ' PRO . 62.6 t80 -67.1 -38.5 85.76 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.63 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.484 ' O ' ' N ' ' A' ' 71' ' ' GLY . 88.1 m-20 -61.57 -41.17 97.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.048 -178.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.478 ' OG1' ' O ' ' A' ' 66' ' ' TYR . 82.4 p -48.02 -24.22 1.02 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.813 -179.365 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -86.06 14.98 5.46 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.745 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 39.32 59.07 1.92 Allowed Glycine 0 CA--C 1.527 0.815 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.039 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.413 ' HD3' ' N ' ' A' ' 71' ' ' GLY . 58.1 Cg_endo -79.22 129.7 8.84 Favored 'Trans proline' 0 C--N 1.307 -1.649 0 C-N-CA 122.806 2.337 . . . . 0.0 112.336 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -88.57 -29.5 19.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.929 0.395 . . . . 0.0 110.48 179.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.509 ' O ' ' C ' ' A' ' 75' ' ' VAL . 48.8 mmtt -64.61 -46.49 82.4 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.856 -178.332 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.509 ' C ' ' O ' ' A' ' 74' ' ' LYS . 89.4 t 26.02 83.84 0.15 Allowed Pre-proline 0 CA--C 1.529 0.14 0 O-C-N 123.968 0.793 . . . . 0.0 110.779 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -55.5 125.57 19.58 Favored 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 122.372 2.048 . . . . 0.0 111.605 -179.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 93.0 t -82.71 -18.07 10.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.89 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 25.5 p -49.28 -25.43 2.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.194 -179.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.8 -27.01 48.99 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.009 0.433 . . . . 0.0 110.687 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.487 ' CE1' ' OD1' ' A' ' 84' ' ' ASN . 51.0 t80 -71.3 -34.09 70.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.99 179.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.0 t -68.62 -42.61 77.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.771 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.464 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 5.3 m-85 -57.98 -53.77 54.5 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.701 -179.286 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 42.0 t90 -58.3 -39.58 79.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.072 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.487 ' OD1' ' CE1' ' A' ' 80' ' ' PHE . 7.2 m120 -64.43 -46.85 81.4 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.32 -179.085 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 63.8 tp -68.75 -50.38 51.01 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.727 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -60.98 -38.36 79.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.291 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 64.7 tttt -54.52 -47.72 72.79 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.554 -178.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.44 -18.17 36.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.115 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 33.9 tp -60.13 -40.64 90.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.402 -176.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 41.5 mt -61.22 -42.42 93.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.459 -179.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -54.47 -40.3 68.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.342 -178.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 96.9 mttt . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.749 179.401 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.47 ' CD1' ' N ' ' A' ' 6' ' ' SER . 1.9 tm? . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.709 -0.108 . . . . 0.0 110.709 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.47 ' N ' ' CD1' ' A' ' 5' ' ' LEU . 71.0 m -44.99 -39.14 5.29 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 120.159 -0.616 . . . . 0.0 110.444 -177.406 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.457 ' O ' ' CB ' ' A' ' 11' ' ' TYR . 31.5 tt0 -48.29 -60.88 2.31 Favored 'General case' 0 C--O 1.214 -0.788 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.836 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -54.26 -43.01 70.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.891 0.377 . . . . 0.0 111.223 -179.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -60.06 -63.35 1.33 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.431 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.475 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 80.2 mtp180 -66.23 -43.37 86.79 Favored 'General case' 0 C--O 1.206 -1.185 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.71 -179.305 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.457 ' CB ' ' O ' ' A' ' 7' ' ' GLN . 48.0 t80 -55.38 -56.35 21.1 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.216 0.531 . . . . 0.0 110.726 -179.21 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.75 -51.97 66.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 C-N-CA 120.074 -0.65 . . . . 0.0 111.928 -179.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -69.51 -48.25 61.15 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -178.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.518 ' O ' ' N ' ' A' ' 17' ' ' GLN . 65.1 tp60 -68.59 -72.39 0.18 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.255 -178.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 14' ' ' GLN . 0.2 OUTLIER -38.04 -49.91 1.32 Allowed 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.877 -177.858 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -63.87 -39.09 93.38 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.019 -0.673 . . . . 0.0 111.285 178.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.518 ' N ' ' O ' ' A' ' 14' ' ' GLN . 46.1 mt-30 -66.53 -59.34 3.72 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-O 121.211 0.529 . . . . 0.0 110.287 179.68 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.513 ' O ' ' CG2' ' A' ' 21' ' ' THR . . . -44.11 -21.74 0.05 OUTLIER 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.809 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.521 ' O ' ' N ' ' A' ' 22' ' ' ARG . 7.3 mt -85.76 -45.12 11.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.468 177.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 17' ' ' GLN . 96.6 mttt -39.7 -41.94 1.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.816 -179.015 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.513 ' CG2' ' O ' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -59.11 -35.45 73.47 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.673 179.827 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 19' ' ' LEU . 43.0 mmt-85 -71.1 -6.95 43.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.341 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.13 32.35 6.47 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.9 t -105.37 161.13 5.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -118.52 162.95 17.51 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.377 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.498 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 10.3 m -124.38 106.02 16.18 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-O 121.36 0.6 . . . . 0.0 110.895 -179.583 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.2 pttt -110.31 168.01 9.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.563 0.697 . . . . 0.0 111.148 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -58.97 -39.89 83.11 Favored 'General case' 0 C--N 1.32 -0.714 0 O-C-N 121.692 -0.63 . . . . 0.0 109.967 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.53 -22.35 66.94 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.308 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -71.05 -41.48 70.7 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.566 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.462 ' O ' ' CB ' ' A' ' 35' ' ' PHE . 6.4 mp -64.2 -43.17 95.84 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.45 179.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 40.8 mt -55.85 -50.35 70.82 Favored 'General case' 0 C--N 1.314 -0.964 0 C-N-CA 119.404 -0.918 . . . . 0.0 111.04 -178.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -74.31 -53.18 10.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.544 -178.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.42 ' CE2' ' CE1' ' A' ' 11' ' ' TYR . 10.0 t80 -60.27 -40.39 90.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.992 0.425 . . . . 0.0 112.132 -178.207 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.462 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 5.9 t80 -70.0 -46.08 65.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.296 178.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -70.73 -21.29 62.56 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.795 -179.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -66.18 -59.68 3.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.815 -179.532 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.537 ' O ' ' N ' ' A' ' 42' ' ' CYS . 0.2 OUTLIER -68.23 -40.5 82.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.799 179.726 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -53.97 -33.94 58.34 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.761 -179.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -42.55 -64.07 0.67 Allowed 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.017 -179.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 61.1 p -116.04 3.22 13.57 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.168 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.537 ' N ' ' O ' ' A' ' 38' ' ' VAL . 15.9 m 38.78 63.35 4.21 Favored Pre-proline 0 C--O 1.223 -0.33 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.388 -178.591 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.588 ' C ' ' H ' ' A' ' 45' ' ' PHE . 22.0 Cg_exo -65.86 -20.38 58.36 Favored 'Trans proline' 0 C--N 1.307 -1.62 0 C-N-CA 122.808 2.339 . . . . 0.0 112.199 -179.327 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.449 ' O ' ' O ' ' A' ' 50' ' ' THR . 1.2 m-90 -70.3 26.55 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.309 0.576 . . . . 0.0 110.929 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.588 ' H ' ' C ' ' A' ' 43' ' ' PRO . 0.1 OUTLIER 63.1 98.44 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.053 -179.819 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -72.8 -5.84 17.92 Favored 'Trans proline' 0 C--N 1.311 -1.425 0 C-N-CA 122.317 2.011 . . . . 0.0 112.352 -178.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -83.68 -59.64 2.37 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.092 -0.643 . . . . 0.0 110.865 -179.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 54.3 tp10 -94.27 -36.67 11.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.123 178.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.12 65.7 1.27 Allowed Glycine 0 CA--C 1.529 0.918 0 N-CA-C 110.511 -1.036 . . . . 0.0 110.511 -177.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.449 ' O ' ' O ' ' A' ' 44' ' ' TRP . 10.2 t -138.87 169.7 17.32 Favored 'General case' 0 CA--C 1.523 -0.072 0 CA-C-O 120.963 0.411 . . . . 0.0 110.679 -179.53 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.4 mt -80.68 143.42 12.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.172 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -137.2 123.59 20.72 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.908 0.385 . . . . 0.0 110.508 179.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.414 HG23 HD11 ' A' ' 53' ' ' ILE . 37.5 mm -69.94 -41.61 79.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.62 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.448 ' CD ' HH11 ' A' ' 57' ' ' ARG . 70.8 mmtt -61.31 -56.14 23.8 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-O 121.441 0.639 . . . . 0.0 111.166 -179.095 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -64.01 -33.49 75.85 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.467 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 38.3 t-105 -56.93 -38.7 73.27 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 121.144 0.497 . . . . 0.0 110.519 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.448 HH11 ' CD ' ' A' ' 54' ' ' LYS . 88.6 mtm180 -66.18 -40.01 90.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.129 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.516 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 94.3 mtt180 -60.68 -51.72 68.18 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.351 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.7 p -64.0 -41.9 93.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.466 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -61.86 -47.12 92.24 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -71.12 -37.67 72.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.753 0.311 . . . . 0.0 110.716 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.516 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 91.3 m -66.12 -39.31 89.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.129 -179.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -82.73 -42.2 18.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.85 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -62.58 -44.44 96.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.687 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -63.58 -53.5 50.71 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.747 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.473 ' CD2' ' C ' ' A' ' 66' ' ' TYR . 16.7 t80 -61.35 -45.52 94.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.902 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.53 ' O ' ' N ' ' A' ' 71' ' ' GLY . 54.6 t80 -62.48 -45.63 92.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.761 -179.372 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 -64.21 -41.08 97.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.752 -179.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 67.9 p -64.82 -31.76 73.14 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.363 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -111.15 12.86 21.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.563 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.53 ' N ' ' O ' ' A' ' 67' ' ' TYR . . . -128.22 -161.46 10.72 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 -179.627 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -79.31 159.21 26.21 Favored 'Trans proline' 0 C--N 1.309 -1.517 0 C-N-CA 123.192 2.595 . . . . 0.0 112.201 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -71.54 -32.73 68.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.126 0.489 . . . . 0.0 110.774 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 75' ' ' VAL . 48.8 mmtt -62.5 -44.54 96.13 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.698 -178.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.414 ' O ' ' O ' ' A' ' 74' ' ' LYS . 20.3 t 60.29 131.82 0.02 OUTLIER Pre-proline 0 C--N 1.318 -0.765 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.115 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -50.97 126.76 19.59 Favored 'Trans proline' 0 N--CA 1.491 1.358 0 C-N-CA 121.896 1.73 . . . . 0.0 111.889 179.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 45.0 t -82.95 -24.08 8.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.576 179.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.3 p -47.71 -27.51 1.99 Allowed 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.088 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.18 -23.38 65.54 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.256 0.55 . . . . 0.0 111.232 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -66.46 -37.73 85.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.696 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 78.3 p -66.77 -34.24 77.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.615 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -59.6 -49.85 76.16 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.678 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.416 ' O ' ' CB ' ' A' ' 87' ' ' LYS . 45.0 t90 -59.24 -47.58 84.83 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.901 -179.525 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -62.49 -41.13 98.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.308 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 52.5 tp -69.38 -61.96 1.58 Allowed 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 120.734 -0.387 . . . . 0.0 110.911 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -54.87 -34.42 30.79 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 CA-C-O 121.161 0.505 . . . . 0.0 110.195 -179.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.416 ' CB ' ' O ' ' A' ' 83' ' ' TRP . 68.5 tttt -56.77 -47.87 79.14 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.849 -179.3 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.94 -18.03 33.79 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 121.023 0.44 . . . . 0.0 111.759 179.526 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 32.5 tp -58.26 -42.16 85.86 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.84 -175.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 26.2 mt -63.46 -43.43 98.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.255 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -52.97 -15.19 0.71 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -178.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 71.4 tttt . . . . . 0 C--N 1.325 -0.462 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.444 179.643 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 58.3 tp . . . . . 0 C--O 1.242 0.664 0 CA-C-O 121.182 0.515 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.5 p -54.98 -35.34 64.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.084 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -56.35 -39.34 72.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.265 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 63.7 t-80 -57.89 -49.35 77.03 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -49.8 -33.13 15.66 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.303 -0.559 . . . . 0.0 109.878 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -75.98 -49.22 18.29 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.248 178.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -52.11 -40.72 61.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.85 0.357 . . . . 0.0 110.26 -179.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.4 t -61.29 -51.49 72.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 120.331 -0.548 . . . . 0.0 110.845 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -67.74 -39.94 84.2 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.073 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.523 ' O ' ' N ' ' A' ' 17' ' ' GLN . 65.5 tp60 -69.51 -71.59 0.22 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.335 -179.412 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 14' ' ' GLN . 0.3 OUTLIER -38.51 -47.83 1.33 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.452 -179.12 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.571 ' HZ2' ' CD1' ' A' ' 31' ' ' LEU . 74.4 mttt -60.71 -41.71 95.76 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.596 178.67 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.523 ' N ' ' O ' ' A' ' 14' ' ' GLN . 63.0 mt-30 -62.38 -57.75 10.16 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 120.527 -0.469 . . . . 0.0 109.865 179.059 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.18 -16.49 1.23 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 121.071 0.462 . . . . 0.0 109.854 179.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.54 ' CD1' ' CZ ' ' A' ' 82' ' ' TYR . 3.2 mt -87.86 -50.66 6.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.55 178.273 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -41.51 -41.42 2.1 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.499 -178.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.0 -33.0 72.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.581 179.714 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 19' ' ' LEU . 73.1 mmt-85 -67.36 -6.78 20.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.462 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.97 22.63 8.22 Favored Glycine 0 N--CA 1.467 0.758 0 N-CA-C 111.274 -0.731 . . . . 0.0 111.274 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.418 ' CG1' ' H ' ' A' ' 25' ' ' LYS . 16.8 t -105.74 170.14 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.629 0.252 . . . . 0.0 110.687 -179.735 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.418 ' H ' ' CG1' ' A' ' 24' ' ' VAL . 98.5 mttt -112.63 150.9 30.77 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.61 179.451 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.505 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 15.4 m -127.95 88.12 1.18 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-O 121.196 0.522 . . . . 0.0 110.561 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.461 ' HG2' ' H ' ' A' ' 28' ' ' TYR . 17.0 ttmt -109.76 163.64 13.31 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.464 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.461 ' H ' ' HG2' ' A' ' 27' ' ' LYS . 97.2 m-85 -57.73 -36.09 71.59 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.029 0.442 . . . . 0.0 110.235 179.59 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.19 -23.17 62.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.749 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.502 ' CB ' ' HZ1' ' A' ' 16' ' ' LYS . 86.3 m-20 -71.01 -44.11 66.57 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.766 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.571 ' CD1' ' HZ2' ' A' ' 16' ' ' LYS . 4.6 mp -60.77 -41.3 95.24 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-O 120.935 0.398 . . . . 0.0 110.3 -179.31 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.1 mt -52.81 -53.87 42.29 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 119.705 -0.798 . . . . 0.0 111.123 -179.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 37' ' ' PHE . 89.0 tttt -71.84 -52.37 17.77 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -178.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.407 ' CZ ' ' CZ ' ' A' ' 82' ' ' TYR . 0.2 OUTLIER -61.71 -37.9 85.89 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -178.346 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.466 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 8.1 t80 -71.64 -48.15 49.75 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.14 179.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -77.19 -23.4 51.51 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.025 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.465 ' CB ' ' O ' ' A' ' 33' ' ' LYS . 14.9 t80 -62.66 -51.69 66.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.976 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.52 ' O ' ' N ' ' A' ' 42' ' ' CYS . 6.8 m -74.37 -33.01 32.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.568 179.464 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.511 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 80.2 tttt -57.81 -29.96 65.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.663 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -46.01 -58.45 3.57 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.735 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 78.0 p -114.95 -4.42 12.58 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.871 0.367 . . . . 0.0 111.01 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.52 ' N ' ' O ' ' A' ' 38' ' ' VAL . 3.3 m 42.41 65.7 4.84 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.799 -178.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.604 ' C ' ' H ' ' A' ' 45' ' ' PHE . 26.4 Cg_exo -63.47 -29.12 71.11 Favored 'Trans proline' 0 N--CA 1.497 1.722 0 C-N-CA 122.771 2.314 . . . . 0.0 112.126 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.431 ' CD1' ' O ' ' A' ' 50' ' ' THR . 1.7 m-90 -66.94 24.63 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.029 -179.502 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.604 ' H ' ' C ' ' A' ' 43' ' ' PRO . 55.5 m-85 41.48 82.5 0.22 Allowed Pre-proline 0 N--CA 1.455 -0.207 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -54.52 -5.94 0.5 Allowed 'Trans proline' 0 N--CA 1.492 1.394 0 C-N-CA 122.109 1.873 . . . . 0.0 112.485 -178.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.458 ' H ' ' C ' ' A' ' 45' ' ' PHE . 93.0 mm-40 -83.07 -56.76 3.6 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.479 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -91.83 -23.66 19.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.57 178.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 61.36 77.26 0.2 Allowed Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.614 -0.995 . . . . 0.0 110.614 -179.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.535 ' HG1' ' N ' ' A' ' 51' ' ' ILE . 9.1 t -145.61 171.04 15.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.934 0.397 . . . . 0.0 111.066 -179.302 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.535 ' N ' ' HG1' ' A' ' 50' ' ' THR . 0.8 OUTLIER -98.71 140.76 17.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.81 179.386 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -133.88 122.72 23.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.896 0.379 . . . . 0.0 110.527 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.41 HD11 HG21 ' A' ' 53' ' ' ILE . 34.1 mm -69.71 -41.07 79.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.103 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -64.68 -51.94 59.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.047 0.451 . . . . 0.0 110.931 -179.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 31.2 ttt85 -67.99 -39.15 83.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.431 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 44.7 t-105 -56.36 -35.8 68.09 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.244 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 63.6 ttm-85 -67.75 -41.61 83.09 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.224 179.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.514 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 78.6 mtp85 -60.22 -50.2 74.6 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.389 -179.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.8 p -64.1 -40.52 89.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.832 0.349 . . . . 0.0 110.228 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -64.61 -53.18 36.76 Favored Glycine 0 CA--C 1.529 0.947 0 C-N-CA 121.145 -0.55 . . . . 0.0 111.845 -179.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.566 ' OD1' ' N ' ' A' ' 62' ' ' CYS . 14.4 p30 -68.23 -26.31 65.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.838 0.352 . . . . 0.0 110.827 -179.566 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.566 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 8.1 m -65.04 -40.9 95.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.287 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -81.62 -35.85 29.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.947 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -65.42 -43.36 90.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.551 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -63.34 -50.65 69.16 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.474 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.442 ' O ' ' OG1' ' A' ' 69' ' ' THR . 63.8 t80 -64.33 -41.06 96.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.713 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -67.29 -36.36 81.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 71' ' ' GLY . 1.2 m120 -62.91 -39.87 95.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.257 -179.381 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' A' ' 66' ' ' TYR . 68.1 p -50.05 -20.05 0.87 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.771 -179.437 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -89.58 14.4 11.64 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.523 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 40.38 58.69 2.41 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 -179.371 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -78.23 132.33 11.34 Favored 'Trans proline' 0 C--N 1.309 -1.505 0 C-N-CA 122.855 2.37 . . . . 0.0 112.491 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -87.0 -37.75 17.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.278 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.478 ' O ' ' C ' ' A' ' 75' ' ' VAL . 12.5 mptt -60.54 -45.8 92.53 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.325 -178.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.478 ' C ' ' O ' ' A' ' 74' ' ' LYS . 60.6 t 29.37 82.82 0.2 Allowed Pre-proline 0 N--CA 1.466 0.337 0 O-C-N 123.543 0.527 . . . . 0.0 111.011 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -54.07 125.85 20.14 Favored 'Trans proline' 0 C--N 1.311 -1.432 0 C-N-CA 121.681 1.587 . . . . 0.0 111.604 -179.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.5 t -82.78 -16.98 11.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.419 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.451 ' O ' ' OG ' ' A' ' 81' ' ' SER . 70.2 p -46.83 -30.86 2.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.987 0.422 . . . . 0.0 110.019 -179.176 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.97 -30.23 65.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.835 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -71.28 -37.15 71.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.064 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.451 ' OG ' ' O ' ' A' ' 78' ' ' THR . 78.1 p -66.02 -42.29 89.84 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.54 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 13.5 m-85 -61.16 -45.83 93.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.716 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 38.5 m0 -56.4 -47.59 78.68 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.968 -178.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -65.22 -42.05 93.81 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.864 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 55.7 tp -68.04 -63.14 1.12 Allowed 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.885 -179.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -50.34 -36.93 13.84 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.307 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 48.6 tttt -55.07 -46.12 75.4 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.895 -178.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.22 -19.33 43.44 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.988 -179.462 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.68 -44.7 96.18 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.75 -177.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.4 mt -62.79 -42.88 97.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 C-N-CA 119.963 -0.695 . . . . 0.0 109.709 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -43.55 -29.18 0.45 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.541 -178.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 32.7 tttp . . . . . 0 C--N 1.326 -0.42 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 -179.907 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.4 tp . . . . . 0 C--O 1.238 0.449 0 CA-C-O 121.204 0.526 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.2 p -56.0 -33.3 64.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.279 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -56.12 -47.35 78.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.229 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.43 ' CE1' ' CE2' ' A' ' 35' ' ' PHE . 7.0 t-160 -57.25 -50.53 72.61 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.859 0.361 . . . . 0.0 110.059 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -46.23 -36.49 6.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.063 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 14' ' ' GLN . 58.3 ttt85 -76.88 -47.33 21.51 Favored 'General case' 0 C--O 1.21 -1.023 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.433 178.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -54.59 -47.96 72.7 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.309 0.576 . . . . 0.0 110.502 -178.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.1 t -61.82 -53.9 41.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 C-N-CA 120.146 -0.621 . . . . 0.0 111.662 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -69.33 -45.12 70.25 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.082 0.468 . . . . 0.0 111.878 -179.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.584 ' O ' ' N ' ' A' ' 17' ' ' GLN . 61.6 tp60 -67.54 -73.68 0.13 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.745 -179.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.464 ' C ' ' O ' ' A' ' 14' ' ' GLN . 0.2 OUTLIER -37.26 -46.4 0.73 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -178.287 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.569 ' HZ2' ' CD1' ' A' ' 31' ' ' LEU . 63.8 mttt -60.78 -40.21 91.7 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.716 178.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.584 ' N ' ' O ' ' A' ' 14' ' ' GLN . 48.0 mm-40 -66.47 -58.65 4.81 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.113 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.33 -15.99 0.29 Allowed 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.095 179.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.465 ' CD1' ' CZ ' ' A' ' 82' ' ' TYR . 3.1 mt -85.07 -47.7 9.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.114 178.698 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -46.48 -34.67 4.97 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.478 -179.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.2 t -57.32 -33.47 67.75 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.429 179.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 92.6 mtt-85 -73.63 -13.75 61.05 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.532 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.02 30.49 3.92 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.402 ' CG1' ' N ' ' A' ' 25' ' ' LYS . 30.0 t -107.55 166.22 4.17 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 CA-C-O 120.789 0.328 . . . . 0.0 110.951 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.402 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 98.6 mttt -135.2 143.24 46.31 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 179.077 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.456 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 4.1 m -123.49 124.59 69.99 Favored 'Isoleucine or valine' 0 C--O 1.231 0.113 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.804 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.505 ' HD3' ' H ' ' A' ' 29' ' ' ALA . 10.8 tmtt? -110.43 166.4 11.02 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.344 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -50.7 -42.08 56.62 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 121.19 0.519 . . . . 0.0 110.397 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.505 ' H ' ' HD3' ' A' ' 27' ' ' LYS . . . -63.18 -17.96 62.96 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.193 178.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.408 ' CB ' ' O ' ' A' ' 27' ' ' LYS . 20.7 t0 -68.93 -45.44 70.81 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.49 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.569 ' CD1' ' HZ2' ' A' ' 16' ' ' LYS . 5.8 mp -64.85 -41.39 95.74 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.198 0.523 . . . . 0.0 109.829 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 45.1 mt -58.62 -50.8 72.51 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 119.728 -0.789 . . . . 0.0 111.045 -178.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -73.76 -52.59 12.67 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.433 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -58.99 -42.64 90.5 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -178.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.472 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 5.9 t80 -69.69 -43.1 73.15 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.798 179.46 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -73.43 -22.56 60.17 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.974 0.416 . . . . 0.0 110.787 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.69 -59.19 4.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.995 -179.472 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.536 ' O ' ' N ' ' A' ' 42' ' ' CYS . 2.6 m -66.02 -39.63 85.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.877 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -60.34 -25.43 65.81 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.817 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -54.89 -55.56 29.18 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.224 -179.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.7 p -114.18 -5.35 13.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.805 0.336 . . . . 0.0 110.81 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.556 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 1.5 m 45.18 57.21 15.22 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.365 -178.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.556 ' HD3' ' N ' ' A' ' 42' ' ' CYS . 18.4 Cg_exo -65.69 -39.9 19.21 Favored 'Trans proline' 0 C--N 1.308 -1.574 0 C-N-CA 122.408 2.072 . . . . 0.0 112.626 -178.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.683 ' CH2' ' CE3' ' A' ' 56' ' ' TRP . 0.5 OUTLIER -80.71 11.27 3.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.605 -179.587 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.581 ' C ' ' H ' ' A' ' 47' ' ' GLN . 3.1 m-85 42.16 51.93 6.56 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.097 -179.608 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 45' ' ' PHE . 6.7 Cg_endo -48.55 -4.7 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.665 0 C-N-CA 123.171 2.58 . . . . 0.0 111.944 179.608 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.581 ' H ' ' C ' ' A' ' 45' ' ' PHE . 87.0 mt-30 -55.16 -53.61 53.8 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.303 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -92.56 -28.43 16.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.871 0.367 . . . . 0.0 110.404 178.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 91.54 81.48 1.43 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 -178.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.409 ' HG1' ' H ' ' A' ' 51' ' ' ILE . 2.9 t -144.73 166.71 24.44 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 121.121 -0.231 . . . . 0.0 110.471 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.409 ' H ' ' HG1' ' A' ' 50' ' ' THR . 1.0 OUTLIER -110.97 139.52 34.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.182 179.887 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.56 ' H ' ' HE1' ' A' ' 44' ' ' TRP . 43.9 t0 -139.76 121.68 15.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.991 0.424 . . . . 0.0 110.442 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.434 HG23 HD12 ' A' ' 53' ' ' ILE . 33.2 mm -74.84 -40.18 46.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.36 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -63.58 -55.6 22.5 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.64 -178.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 85.4 mmt-85 -61.41 -34.27 75.1 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.265 -179.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.683 ' CE3' ' CH2' ' A' ' 44' ' ' TRP . 32.4 t-105 -57.65 -41.15 80.9 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.13 0.491 . . . . 0.0 110.578 -179.33 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 94.3 mtm-85 -64.99 -38.48 91.11 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.647 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.498 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 95.1 mtt180 -59.29 -49.12 79.03 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.117 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.5 p -70.32 -35.73 63.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.667 179.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -63.91 -44.92 95.35 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -73.08 -40.86 64.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.927 0.394 . . . . 0.0 110.65 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 93.9 m -61.32 -36.07 79.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.698 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -82.26 -41.54 20.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.499 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 52.9 tt0 -64.55 -41.04 96.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.471 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -64.24 -51.97 61.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.62 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.47 ' O ' ' OG1' ' A' ' 69' ' ' THR . 64.2 t80 -64.16 -42.66 96.65 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.096 0.474 . . . . 0.0 110.618 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.479 ' CZ ' ' CB ' ' A' ' 72' ' ' PRO . 51.4 t80 -66.09 -38.34 88.0 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.703 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 64' ' ' GLN . 1.2 m-80 -62.5 -41.13 98.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.177 -179.151 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.47 ' OG1' ' O ' ' A' ' 66' ' ' TYR . 81.3 p -48.55 -22.44 0.75 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.728 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -88.25 15.09 8.1 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.735 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 40.08 58.09 2.4 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.27 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.479 ' CB ' ' CZ ' ' A' ' 67' ' ' TYR . 66.4 Cg_endo -78.74 129.56 9.21 Favored 'Trans proline' 0 C--N 1.308 -1.576 0 C-N-CA 122.752 2.301 . . . . 0.0 112.358 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -88.31 -22.99 23.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.582 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.521 ' O ' ' C ' ' A' ' 75' ' ' VAL . 56.1 mmtt -66.32 -47.16 74.44 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.04 -179.044 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.521 ' C ' ' O ' ' A' ' 74' ' ' LYS . 58.7 t 20.62 79.75 0.16 Allowed Pre-proline 0 N--CA 1.464 0.256 0 O-C-N 124.185 0.928 . . . . 0.0 110.831 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -56.84 125.87 20.4 Favored 'Trans proline' 0 C--N 1.309 -1.536 0 C-N-CA 122.329 2.019 . . . . 0.0 111.768 -178.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.4 ' C ' ' N ' ' A' ' 79' ' ' ALA . 86.3 t -83.25 -17.05 11.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.964 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 81.1 p -47.71 -20.81 0.31 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.539 -179.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' A' ' 77' ' ' VAL . . . -57.55 -23.6 51.41 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.175 0.512 . . . . 0.0 110.684 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.584 ' CE1' ' ND2' ' A' ' 84' ' ' ASN . 74.1 t80 -69.86 -28.95 66.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.739 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 55.0 m -71.19 -37.81 72.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.505 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.465 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 8.5 m-85 -60.77 -49.29 78.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.557 ' N ' ' CD1' ' A' ' 83' ' ' TRP . 6.1 m0 -60.28 -44.72 95.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 -179.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.584 ' ND2' ' CE1' ' A' ' 80' ' ' PHE . 67.0 m-20 -64.14 -43.76 94.25 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-O 120.914 0.388 . . . . 0.0 111.616 -179.593 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 55.7 tp -67.32 -62.36 1.46 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 120.818 0.342 . . . . 0.0 110.968 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.5 mt -54.04 -36.78 32.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.306 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.435 ' CB ' ' O ' ' A' ' 83' ' ' TRP . 50.5 tttt -52.62 -46.2 66.92 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -178.618 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.77 -19.77 44.11 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.568 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.82 -47.47 83.27 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.55 -178.294 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.54 ' O ' ' N ' ' A' ' 92' ' ' LYS . 3.4 mt -63.66 -42.25 95.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.292 -179.336 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -42.39 -18.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.612 -178.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.54 ' N ' ' O ' ' A' ' 90' ' ' ILE . 97.1 mttt . . . . . 0 C--N 1.326 -0.413 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.742 178.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . 0.74 H143 ' CE1' ' A' ' 11' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.708 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -58.64 -20.89 51.74 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.073 0.463 . . . . 0.0 110.493 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.662 ' OE2' ' H51' ' A' ' 1' ' ' MYR . 96.8 mt-10 -51.71 -18.43 1.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.622 179.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 31.7 tp -40.81 -29.24 0.09 Allowed 'General case' 0 C--O 1.243 0.744 0 CA-C-O 121.559 0.695 . . . . 0.0 110.423 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.4 p -54.21 -27.52 34.92 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.932 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.55 ' OE1' ' H62' ' A' ' 1' ' ' MYR . 73.3 mt-30 -57.87 -46.33 84.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.094 179.202 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.636 ' NE2' ' H91' ' A' ' 1' ' ' MYR . 45.7 m-70 -57.03 -49.31 76.22 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.115 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -49.24 -39.76 31.4 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.271 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 -75.23 -46.03 36.47 Favored 'General case' 0 C--O 1.216 -0.691 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.395 179.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.74 ' CE1' H143 ' A' ' 1' ' ' MYR . 69.2 t80 -54.78 -45.3 74.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.042 0.449 . . . . 0.0 110.381 -179.054 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 30.8 t -61.0 -51.36 74.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 C-N-CA 120.186 -0.606 . . . . 0.0 111.058 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -68.56 -40.69 80.51 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.152 0.501 . . . . 0.0 111.281 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.527 ' O ' ' N ' ' A' ' 17' ' ' GLN . 65.5 tp60 -70.3 -72.41 0.2 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.413 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 14' ' ' GLN . 0.2 OUTLIER -37.89 -49.02 1.2 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 -178.581 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.571 ' HZ3' ' CD1' ' A' ' 31' ' ' LEU . 59.0 mttt -60.01 -41.01 91.21 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.052 -0.659 . . . . 0.0 111.106 179.132 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.527 ' N ' ' O ' ' A' ' 14' ' ' GLN . 46.5 mt-30 -65.97 -58.69 4.96 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-O 121.401 0.62 . . . . 0.0 109.962 179.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.54 -15.61 0.72 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.087 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.513 ' CD1' ' CZ ' ' A' ' 82' ' ' TYR . 3.4 mt -83.97 -50.25 8.2 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.617 178.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -45.43 -31.73 1.84 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.035 -179.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.422 HG21 ' N ' ' A' ' 22' ' ' ARG . 2.1 t -60.41 -35.2 75.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.45 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 19' ' ' LEU . 61.0 mtp85 -72.82 -10.47 59.83 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.404 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 105.33 30.05 4.86 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.9 t -105.85 167.68 3.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 116.653 0.227 . . . . 0.0 110.46 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -117.1 152.4 34.78 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.312 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.5 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 12.8 m -126.64 102.22 9.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 CA-C-O 121.086 0.469 . . . . 0.0 110.741 -179.439 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.478 ' HG2' ' H ' ' A' ' 28' ' ' TYR . 16.6 ttmt -111.13 162.67 14.68 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.299 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.478 ' H ' ' HG2' ' A' ' 27' ' ' LYS . 90.5 m-85 -57.66 -43.13 84.75 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.253 0.549 . . . . 0.0 110.223 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.79 -20.97 25.27 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.26 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.431 ' HB3' ' HZ2' ' A' ' 16' ' ' LYS . 37.6 t0 -71.51 -41.43 69.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.917 179.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.571 ' CD1' ' HZ3' ' A' ' 16' ' ' LYS . 4.4 mp -64.45 -41.16 96.71 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.162 0.506 . . . . 0.0 110.272 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 34.2 mt -59.04 -47.46 85.15 Favored 'General case' 0 C--N 1.31 -1.13 0 C-N-CA 119.64 -0.824 . . . . 0.0 110.971 -178.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -78.16 -52.68 8.35 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.365 -178.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -58.28 -40.63 82.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.964 0.411 . . . . 0.0 111.748 -178.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.431 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 4.4 t80 -72.16 -44.62 62.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.558 179.107 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -70.32 -25.14 63.17 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.914 0.388 . . . . 0.0 111.219 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -65.55 -59.9 3.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.788 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.519 ' O ' ' N ' ' A' ' 42' ' ' CYS . 2.6 m -66.98 -40.35 85.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -55.0 -29.83 58.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.703 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -47.0 -62.48 1.39 Allowed 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.654 -0.419 . . . . 0.0 110.893 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.444 ' C ' ' SG ' ' A' ' 42' ' ' CYS . 16.5 p -115.07 5.09 14.83 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.117 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.519 ' N ' ' O ' ' A' ' 38' ' ' VAL . 0.8 OUTLIER 33.93 65.46 1.44 Allowed Pre-proline 0 N--CA 1.464 0.259 0 O-C-N 123.498 0.499 . . . . 0.0 110.314 -178.752 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.605 ' C ' ' H ' ' A' ' 45' ' ' PHE . 23.7 Cg_exo -63.9 -19.56 66.91 Favored 'Trans proline' 0 N--CA 1.494 1.543 0 C-N-CA 122.89 2.393 . . . . 0.0 112.077 -178.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.726 ' CE2' H141 ' A' ' 1' ' ' MYR . 1.2 m-90 -67.96 23.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.011 0.434 . . . . 0.0 110.914 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.605 ' H ' ' C ' ' A' ' 43' ' ' PRO . 0.1 OUTLIER 77.64 92.26 0.05 OUTLIER Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 -179.636 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -54.68 -18.52 15.95 Favored 'Trans proline' 0 C--N 1.304 -1.792 0 C-N-CA 122.355 2.037 . . . . 0.0 112.05 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -83.8 -59.89 2.28 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 119.991 -0.684 . . . . 0.0 111.567 -179.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.452 ' OE2' ' H52' ' A' ' 1' ' ' MYR . 31.1 tp10 -94.16 -27.19 16.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.428 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 45' ' ' PHE . . . 74.02 33.1 57.81 Favored Glycine 0 CA--C 1.538 1.505 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 -178.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.716 ' HG1' HE21 ' A' ' 98' ' ' GLN . 10.9 t -94.09 172.77 8.02 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.013 0.435 . . . . 0.0 110.762 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.3 mt -83.8 138.71 18.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.298 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -136.81 122.13 19.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.887 0.375 . . . . 0.0 110.608 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 39.6 mm -71.36 -42.49 73.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.437 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -64.14 -51.44 63.91 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.481 0.658 . . . . 0.0 110.719 -179.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -64.99 -35.37 80.99 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.112 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 37.8 t-105 -55.01 -39.32 68.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.182 0.515 . . . . 0.0 110.288 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -66.03 -37.57 86.22 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.106 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.513 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 79.8 ttt-85 -59.3 -50.17 75.0 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.793 -179.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.2 p -67.83 -34.29 66.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.459 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -63.39 -50.8 59.64 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.296 -0.722 . . . . 0.0 111.296 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.561 ' OD1' ' N ' ' A' ' 62' ' ' CYS . 3.5 p30 -70.29 -35.11 73.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.75 0.309 . . . . 0.0 110.815 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.561 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 94.4 m -65.76 -38.61 89.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.846 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -79.65 -42.03 25.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.513 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.743 HE21 HD22 ' A' ' 68' ' ' ASN . 51.8 tp60 -65.51 -36.89 85.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.628 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -65.53 -55.21 19.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.676 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.5 ' O ' ' OG1' ' A' ' 69' ' ' THR . 7.8 m-85 -64.33 -40.12 95.26 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.093 0.473 . . . . 0.0 110.619 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -64.11 -41.01 97.41 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.648 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.743 HD22 HE21 ' A' ' 64' ' ' GLN . 3.5 m120 -61.71 -40.75 96.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.207 -179.087 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.5 ' OG1' ' O ' ' A' ' 66' ' ' TYR . 71.7 p -50.96 -24.83 3.96 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.951 -0.299 . . . . 0.0 110.564 -179.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -85.39 13.6 6.46 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.627 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 40.48 59.68 2.22 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -77.96 128.53 9.23 Favored 'Trans proline' 0 C--N 1.308 -1.585 0 C-N-CA 122.81 2.34 . . . . 0.0 111.933 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -87.92 -31.63 19.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.077 0.465 . . . . 0.0 110.9 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.485 ' O ' ' C ' ' A' ' 75' ' ' VAL . 53.0 mmtt -63.27 -46.65 85.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.365 -178.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.485 ' C ' ' O ' ' A' ' 74' ' ' LYS . 96.2 t 25.95 78.52 0.24 Allowed Pre-proline 0 N--CA 1.468 0.431 0 O-C-N 123.663 0.602 . . . . 0.0 111.081 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -55.7 125.82 20.39 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.003 1.802 . . . . 0.0 111.531 -178.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 98.6 t -82.13 -22.1 9.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.944 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 43.9 p -46.93 -26.97 1.11 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.356 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.67 -24.86 58.86 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.277 0.561 . . . . 0.0 110.949 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -64.91 -39.26 93.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.422 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.433 ' CB ' ' HE ' ' A' ' 22' ' ' ARG . 67.2 m -63.13 -38.97 93.29 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.886 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.513 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 5.8 m-85 -57.73 -50.59 72.73 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.691 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.432 ' CE3' ' OD1' ' A' ' 84' ' ' ASN . 36.5 t90 -59.43 -43.07 93.15 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.78 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.432 ' OD1' ' CE3' ' A' ' 83' ' ' TRP . 98.1 m-20 -64.65 -44.01 91.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.294 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 55.2 tp -68.36 -54.13 19.36 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-O 120.816 0.341 . . . . 0.0 110.552 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.1 mt -57.83 -39.6 71.88 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.308 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -51.23 -50.41 59.19 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.674 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.451 ' O ' ' OD1' ' A' ' 91' ' ' ASP . 0.4 OUTLIER -84.23 -17.11 40.87 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 179.879 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 21.7 tp -60.44 -41.03 93.19 Favored 'General case' 0 CA--C 1.51 -0.594 0 CA-C-O 121.072 0.463 . . . . 0.0 110.541 -176.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 92' ' ' LYS . 36.5 mt -61.45 -41.04 88.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.959 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.587 ' OD1' ' N ' ' A' ' 92' ' ' LYS . 0.5 OUTLIER -41.52 -25.01 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.591 -178.279 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.587 ' N ' ' OD1' ' A' ' 91' ' ' ASP . 97.5 mttt -63.69 134.44 55.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.644 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -95.63 -10.5 29.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.618 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -86.36 17.29 3.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.576 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 40.8 t -63.86 139.87 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.063 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.456 ' OD1' ' NE2' ' A' ' 7' ' ' GLN . 0.5 OUTLIER -40.03 159.82 0.12 Allowed Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.923 -179.17 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.538 ' O ' ' N ' ' A' ' 99' ' ' VAL . 51.8 Cg_exo -42.4 -20.94 0.16 Allowed 'Trans proline' 0 C--N 1.313 -1.317 0 C-N-CA 122.804 2.336 . . . . 0.0 112.275 179.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.716 HE21 ' HG1' ' A' ' 50' ' ' THR . 4.9 pt20 -44.64 -14.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 121.045 -0.262 . . . . 0.0 110.695 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.538 ' N ' ' O ' ' A' ' 97' ' ' PRO . 97.3 t -61.67 -46.76 95.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.354 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 96.5 mmm -67.35 -40.17 85.82 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.049 0.452 . . . . 0.0 110.965 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.61 -18.37 56.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.702 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.536 ' O ' ' N ' ' A' ' 104' ' ' ALA . . . -87.19 -42.54 12.9 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.438 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' A' ' 105' ' ' GLN . 24.3 t -41.83 -20.01 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.609 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 102' ' ' ALA . . . -44.11 -17.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.529 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 103' ' ' VAL . 89.2 mt-30 -56.26 -41.09 75.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.635 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 86.2 m -117.84 129.13 55.47 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.48 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -137.49 148.05 45.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.676 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.91 123.47 19.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.996 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 46.0 pt -66.58 -17.52 22.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.017 -179.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.6 pp -121.44 42.65 3.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.444 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 45.8 pttt -65.78 -37.24 85.78 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.627 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 67.1 m -134.89 167.96 19.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.97 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -63.71 -39.72 95.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.537 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 78.3 p -48.39 -32.82 8.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.332 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -51.88 134.47 31.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.077 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.428 ' O ' ' O ' ' A' ' 117' ' ' ASP . 6.4 m -60.74 -43.56 97.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.199 -179.268 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.428 ' O ' ' O ' ' A' ' 116' ' ' THR . 81.6 m-20 -55.2 -164.7 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.39 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.426 ' N ' ' CD1' ' A' ' 118' ' ' LEU . 10.4 mp -65.72 144.54 56.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.504 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -61.62 158.84 14.39 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.839 0.352 . . . . 0.0 110.39 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -64.85 -42.08 95.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.527 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -99.57 130.68 45.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.444 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 48.1 p-80 -150.45 164.18 36.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.71 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -133.55 140.65 47.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.71 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -145.18 141.17 28.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.599 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 80.7 t60 . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.543 -179.91 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . 0.705 ' H41' ' O ' ' A' ' 47' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.7 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -56.86 -23.28 43.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.73 0.3 . . . . 0.0 110.502 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 7' ' ' GLN . 95.8 mt-10 -51.06 -21.89 2.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.581 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 30.2 tp -41.12 -41.81 1.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.594 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.0 p -53.39 -34.0 55.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.596 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.59 ' NE2' ' H91' ' A' ' 1' ' ' MYR . 53.6 tt0 -54.67 -45.04 73.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.629 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.625 ' CE1' ' H61' ' A' ' 1' ' ' MYR . 3.1 m80 -59.41 -49.78 76.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.545 179.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -43.94 -30.52 0.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.558 178.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -81.97 -41.71 20.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.632 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.646 ' CE2' H142 ' A' ' 1' ' ' MYR . 70.2 t80 -54.46 -49.03 71.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.563 178.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.9 t -61.25 -53.6 46.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.556 -179.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -64.57 -40.47 95.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.563 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.6 ' O ' ' N ' ' A' ' 17' ' ' GLN . 71.6 tp60 -69.97 -74.12 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.605 -179.105 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.471 ' C ' ' O ' ' A' ' 14' ' ' GLN . 0.2 OUTLIER -34.32 -46.86 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.562 179.837 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.517 ' HZ2' ' CD1' ' A' ' 31' ' ' LEU . 11.1 mtpt -62.75 -41.2 99.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.543 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.6 ' N ' ' O ' ' A' ' 14' ' ' GLN . 70.0 mt-30 -67.82 -58.19 5.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.548 178.052 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.4 -16.11 0.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.579 178.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.487 ' CD1' ' CZ ' ' A' ' 82' ' ' TYR . 5.2 mt -85.76 -48.96 8.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.59 179.147 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 66.8 tttm -43.79 -33.56 1.33 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.63 179.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.423 HG22 ' N ' ' A' ' 22' ' ' ARG . 4.3 t -61.43 -32.55 72.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.588 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 19' ' ' LEU . 94.5 mtt-85 -75.52 -9.31 58.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.5 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 105.86 29.71 4.84 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.0 t -105.97 168.64 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.805 0.336 . . . . 0.0 110.542 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -114.24 142.53 46.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.56 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.523 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 21.6 m -115.97 90.72 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.572 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.499 ' HG2' ' H ' ' A' ' 28' ' ' TYR . 19.5 ttmt -109.37 164.85 12.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.546 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.499 ' H ' ' HG2' ' A' ' 27' ' ' LYS . 96.4 m-85 -64.19 -35.71 81.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.599 179.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.12 -21.81 65.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.553 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.42 ' HB2' ' HZ1' ' A' ' 16' ' ' LYS . 59.2 m-20 -74.88 -38.24 61.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.535 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.517 ' CD1' ' HZ2' ' A' ' 16' ' ' LYS . 1.7 mp -61.87 -42.11 98.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.534 179.374 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 43.2 mt -53.93 -55.39 27.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.611 -178.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 37' ' ' PHE . 88.3 tttt -74.62 -50.3 18.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.488 -178.394 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -58.75 -42.03 87.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.566 -177.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.517 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 8.2 t80 -72.17 -46.52 56.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.551 -177.355 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -77.28 -20.46 55.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.529 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.508 ' N ' ' O ' ' A' ' 33' ' ' LYS . 1.6 t80 -61.0 -52.06 66.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.583 -179.288 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.577 ' O ' ' N ' ' A' ' 42' ' ' CYS . 2.4 m -76.48 -35.01 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.525 -179.579 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -63.96 -31.55 72.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.598 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -52.12 -46.04 65.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.601 -179.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.511 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 15.7 p -113.7 -6.12 13.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.579 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.577 ' N ' ' O ' ' A' ' 38' ' ' VAL . 8.5 p 36.85 58.86 3.72 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.52 -179.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.446 ' HD3' ' N ' ' A' ' 42' ' ' CYS . 58.9 Cg_endo -80.15 -38.93 0.29 Allowed 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.764 2.31 . . . . 0.0 112.106 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.727 ' HE1' ' H ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -76.47 5.72 6.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.531 -179.447 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.51 ' C ' ' H ' ' A' ' 47' ' ' GLN . 28.9 m-85 55.4 53.04 8.49 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.55 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.46 ' CD ' ' N ' ' A' ' 45' ' ' PHE . 5.0 Cg_endo -47.45 -9.36 0.06 OUTLIER 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.806 2.337 . . . . 0.0 112.135 -178.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.705 ' O ' ' H41' ' A' ' 1' ' ' MYR . 94.6 mm-40 -62.99 -57.23 11.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.561 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.554 ' O ' ' H72' ' A' ' 1' ' ' MYR . 43.9 tp10 -94.64 -13.54 25.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.547 178.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.467 ' O ' ' H92' ' A' ' 1' ' ' MYR . . . 66.99 91.28 0.05 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.604 ' HG1' ' H ' ' A' ' 51' ' ' ILE . 15.1 t -139.55 168.66 19.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.838 0.351 . . . . 0.0 110.573 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.604 ' H ' ' HG1' ' A' ' 50' ' ' THR . 0.5 OUTLIER -120.89 139.42 48.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.58 179.345 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.727 ' H ' ' HE1' ' A' ' 44' ' ' TRP . 51.6 t0 -144.4 121.52 11.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.594 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.4 mm -71.81 -42.22 69.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.537 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.67 -52.76 59.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.619 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 27.2 ttm-85 -63.15 -37.85 88.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.631 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.623 ' CE3' ' CH2' ' A' ' 44' ' ' TRP . 23.4 t-105 -55.39 -37.67 67.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.595 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 75.7 ttt-85 -65.56 -41.49 92.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.6 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.498 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 99.7 mtt180 -57.78 -53.03 62.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.567 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.0 p -64.48 -39.16 84.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.559 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.02 -48.67 81.79 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -69.18 -35.18 76.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.807 0.336 . . . . 0.0 110.576 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 89.6 m -64.53 -37.32 87.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.562 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -82.0 -41.99 19.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.622 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -64.93 -40.11 94.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.585 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.404 ' OD2' ' C ' ' A' ' 65' ' ' ASP . 61.2 t0 -61.75 -53.52 54.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.554 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.513 ' O ' ' OG1' ' A' ' 69' ' ' THR . 4.7 m-85 -67.25 -38.57 85.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.575 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.401 ' CE1' ' CB ' ' A' ' 72' ' ' PRO . 59.2 t80 -67.4 -39.81 85.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.553 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 71' ' ' GLY . 3.4 m120 -62.47 -40.31 96.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.604 -178.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.513 ' OG1' ' O ' ' A' ' 66' ' ' TYR . 77.4 p -50.88 -21.54 1.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.616 -178.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -89.57 14.69 10.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.548 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 40.89 58.99 2.55 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.417 ' HD3' ' N ' ' A' ' 71' ' ' GLY . 56.8 Cg_endo -78.15 127.69 8.57 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.786 2.324 . . . . 0.0 112.107 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -88.61 -18.98 26.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.591 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.532 ' O ' ' C ' ' A' ' 75' ' ' VAL . 51.1 mmtt -73.23 -48.25 36.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.521 -179.074 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.532 ' C ' ' O ' ' A' ' 74' ' ' LYS . 89.6 t 28.71 79.23 0.25 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.481 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -55.24 123.94 15.05 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.797 2.331 . . . . 0.0 112.141 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 77.5 t -81.06 -17.14 12.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.595 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 69.3 p -45.72 -31.32 1.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.536 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.67 -30.33 63.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.549 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -68.94 -35.48 76.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.538 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.7 m -63.73 -40.55 97.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.554 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.487 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 19.8 m-85 -58.83 -48.91 79.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.536 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.501 ' C ' ' CD1' ' A' ' 83' ' ' TRP . 9.0 t-105 -55.61 -49.95 71.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.566 -178.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -64.43 -43.04 95.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.554 -178.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 64.6 tp -66.86 -67.51 0.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.585 -178.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -49.77 -35.1 9.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.513 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 45.8 tttt -53.54 -44.46 69.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.58 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.488 ' O ' ' OD2' ' A' ' 91' ' ' ASP . 0.6 OUTLIER -83.5 -18.98 36.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.583 -177.669 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.58 -41.98 95.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.538 -178.592 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 6.3 mt -62.64 -45.11 99.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.548 -178.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.548 ' OD2' ' C ' ' A' ' 91' ' ' ASP . 17.9 p30 -78.27 -5.84 53.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.58 -178.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -63.02 -47.9 81.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.578 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -128.57 174.14 9.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.558 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.523 ' O ' ' O ' ' A' ' 95' ' ' VAL . 57.3 mp0 -82.48 16.66 2.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.576 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.523 ' O ' ' O ' ' A' ' 94' ' ' GLU . 35.9 m 35.17 -159.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.579 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.524 ' ND2' ' OE1' ' A' ' 98' ' ' GLN . 0.0 OUTLIER -152.45 162.57 26.15 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.613 -179.63 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.619 ' O ' ' N ' ' A' ' 99' ' ' VAL . 6.5 Cg_endo -47.95 -19.95 1.81 Allowed 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.808 2.339 . . . . 0.0 112.131 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.524 ' OE1' ' ND2' ' A' ' 96' ' ' ASN . 9.1 pt20 -37.83 -20.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.543 178.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.619 ' N ' ' O ' ' A' ' 97' ' ' PRO . 85.8 t -64.59 -43.29 96.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.571 179.1 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.466 ' N ' ' O ' ' A' ' 97' ' ' PRO . 64.3 mtt -71.07 -39.23 72.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.545 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.59 -21.54 66.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.591 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.97 -38.06 85.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.573 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 70.9 t -56.31 -41.83 72.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.589 178.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.55 ' O ' ' N ' ' A' ' 106' ' ' THR . . . -54.14 -26.79 29.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.54 179.259 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 56.61 -78.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.607 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.55 ' N ' ' O ' ' A' ' 104' ' ' ALA . 47.8 p -126.4 -162.36 1.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.601 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 55.4 167.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.52 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -87.9 126.06 34.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.634 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.401 HG23 HD13 ' A' ' 109' ' ' ILE . 42.8 pt -51.03 -23.38 2.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.625 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 95.5 mt -64.29 -36.91 85.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.583 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -68.3 -32.14 72.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.502 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 58.3 m -58.29 -46.75 85.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.528 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -64.2 -45.67 87.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.526 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 96.7 p -160.79 152.76 19.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.561 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -100.01 11.97 38.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.545 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.3 m -63.35 -43.0 98.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.564 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -64.33 -44.94 89.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.543 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 73.3 mt -122.49 75.24 1.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.558 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.0 tp10 -87.57 139.08 30.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.602 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -66.24 -39.48 89.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.596 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -113.86 129.47 56.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.548 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -62.01 -44.33 96.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.553 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 47.7 m80 -101.82 127.54 48.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.564 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -65.26 -42.51 93.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.557 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 117.928 -1.034 . . . . 0.0 110.491 -180.0 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . 0.702 H143 ' CE1' ' A' ' 11' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.633 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -54.24 -22.12 10.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.976 0.417 . . . . 0.0 110.511 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.541 ' OE1' ' ND2' ' A' ' 96' ' ' ASN . 37.1 tp10 -49.11 -19.56 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.207 0.527 . . . . 0.0 110.361 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.7 tp -42.75 -36.87 1.58 Allowed 'General case' 0 C--O 1.243 0.719 0 CA-C-O 121.27 0.557 . . . . 0.0 110.498 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.3 p -55.02 -33.36 62.56 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.899 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 4' ' ' GLU . 60.5 tt0 -56.28 -41.99 76.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.096 179.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -57.71 -49.93 74.89 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -49.9 -32.88 15.67 Favored 'General case' 0 C--O 1.243 0.752 0 CA-C-O 121.608 0.718 . . . . 0.0 109.965 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -80.29 -49.19 11.91 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.799 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.702 ' CE1' H143 ' A' ' 1' ' ' MYR . 79.6 t80 -51.28 -41.76 60.65 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -179.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.7 t -59.9 -57.62 10.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.918 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.08 -41.41 97.32 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.784 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.599 ' O ' ' N ' ' A' ' 17' ' ' GLN . 68.1 tp60 -67.31 -74.9 0.1 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.637 -179.259 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.464 ' C ' ' O ' ' A' ' 14' ' ' GLN . 0.2 OUTLIER -36.16 -44.94 0.42 Allowed 'General case' 0 C--O 1.233 0.223 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 -178.658 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.417 ' HZ2' ' HB3' ' A' ' 30' ' ' ASP . 25.9 mttm -61.12 -42.93 99.43 Favored 'General case' 0 C--N 1.315 -0.892 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.889 178.476 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.599 ' N ' ' O ' ' A' ' 14' ' ' GLN . 67.6 mm-40 -65.0 -59.15 4.47 Favored 'General case' 0 C--O 1.239 0.548 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.58 -16.8 0.25 Allowed 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.833 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.582 ' CD1' ' CZ ' ' A' ' 82' ' ' TYR . 3.4 mt -86.64 -48.39 8.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.675 178.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 66.7 tttm -42.76 -33.69 0.79 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.48 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.5 t -63.48 -33.23 75.11 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.74 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 19' ' ' LEU . 16.9 mmm-85 -71.67 -11.39 60.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.434 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.56 25.52 5.97 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.7 t -104.43 169.49 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.612 0.244 . . . . 0.0 110.686 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -111.81 154.17 25.5 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.379 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.507 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 19.4 m -132.89 86.69 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 121.233 0.54 . . . . 0.0 110.727 -179.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.45 ' O ' ' HB2' ' A' ' 30' ' ' ASP . 46.4 pttt -108.76 166.83 10.51 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.23 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 93.8 t80 -61.52 -40.25 93.95 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.011 0.434 . . . . 0.0 110.266 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.93 -23.34 53.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.69 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.45 ' HB2' ' O ' ' A' ' 27' ' ' LYS . 55.9 m-20 -72.86 -44.93 60.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.003 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.45 ' O ' ' CB ' ' A' ' 35' ' ' PHE . 3.3 mp -57.82 -42.63 84.71 Favored 'General case' 0 C--O 1.214 -0.782 0 C-N-CA 120.658 -0.417 . . . . 0.0 109.957 -179.23 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 43.9 mt -49.7 -58.21 5.76 Favored 'General case' 0 C--N 1.31 -1.145 0 C-N-CA 119.925 -0.71 . . . . 0.0 111.389 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 37' ' ' PHE . 87.5 tttt -69.23 -54.36 15.14 Favored 'General case' 0 C--O 1.219 -0.526 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.866 -179.053 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.452 ' CZ ' ' CE2' ' A' ' 82' ' ' TYR . 0.7 OUTLIER -57.82 -40.98 81.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.052 0.453 . . . . 0.0 112.051 -178.393 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.45 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 9.3 t80 -70.64 -48.36 55.39 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.638 -179.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -75.49 -19.46 59.38 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.25 0.547 . . . . 0.0 110.679 -179.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 33' ' ' LYS . 11.7 t80 -65.89 -56.12 13.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.26 -178.528 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.477 ' O ' ' N ' ' A' ' 42' ' ' CYS . 2.7 m -73.23 -32.32 37.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.895 179.554 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.487 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 86.3 tttt -60.15 -31.29 69.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.445 -179.266 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -43.06 -60.18 1.74 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.715 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 59.4 p -114.8 1.59 14.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.487 ' SG ' ' O ' ' A' ' 39' ' ' LYS . 12.7 m 38.07 62.32 4.12 Favored Pre-proline 0 C--N 1.333 -0.148 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.648 -178.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.644 ' C ' ' H ' ' A' ' 45' ' ' PHE . 38.2 Cg_exo -60.79 -22.16 72.63 Favored 'Trans proline' 0 C--N 1.309 -1.522 0 C-N-CA 122.801 2.334 . . . . 0.0 112.087 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.615 ' CE2' H141 ' A' ' 1' ' ' MYR . 1.2 m-90 -65.73 25.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.117 0.484 . . . . 0.0 110.853 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.644 ' H ' ' C ' ' A' ' 43' ' ' PRO . 0.3 OUTLIER 62.48 97.02 0.04 OUTLIER Pre-proline 0 N--CA 1.445 -0.699 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 179.873 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -68.75 -7.13 19.7 Favored 'Trans proline' 0 N--CA 1.495 1.575 0 C-N-CA 122.596 2.197 . . . . 0.0 112.545 -177.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -84.62 -60.33 2.1 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.938 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.466 ' O ' ' H42' ' A' ' 1' ' ' MYR . 25.8 tp10 -94.73 -21.21 18.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.241 179.011 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.61 64.66 3.19 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 -178.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.3 t -132.05 171.89 13.05 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.943 0.401 . . . . 0.0 110.939 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.1 mt -84.37 138.59 18.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.159 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.424 ' C ' ' OD2' ' A' ' 52' ' ' ASP . 56.0 t0 -138.07 123.16 19.15 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.317 0.579 . . . . 0.0 110.565 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.5 mm -72.68 -40.06 61.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.202 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -62.71 -55.3 28.05 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.094 -178.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -64.56 -33.72 76.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.54 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 34.4 t-105 -57.42 -40.07 77.57 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.312 0.577 . . . . 0.0 110.573 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -66.49 -37.45 85.11 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.281 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.507 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 58.8 ttt85 -61.0 -50.06 74.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.018 -179.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.1 p -65.48 -41.41 90.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.719 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -63.08 -48.88 76.42 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -68.01 -37.48 81.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.889 0.376 . . . . 0.0 110.624 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.507 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 65.8 m -63.38 -38.25 90.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -81.84 -41.34 21.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.924 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 61.9 tp60 -66.15 -38.29 87.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.584 -179.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -66.31 -50.97 61.82 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.604 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.465 ' O ' ' OG1' ' A' ' 69' ' ' THR . 58.0 t80 -66.33 -38.5 87.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.6 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.416 ' CE1' ' CG ' ' A' ' 72' ' ' PRO . 56.3 t80 -67.48 -37.58 83.09 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.606 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.492 ' O ' ' N ' ' A' ' 71' ' ' GLY . 90.5 m-20 -61.74 -40.75 96.18 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.082 -178.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.465 ' OG1' ' O ' ' A' ' 66' ' ' TYR . 80.9 p -47.61 -21.26 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.33 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -90.27 15.79 9.82 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.713 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 38.91 59.07 1.77 Allowed Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.766 -0.933 . . . . 0.0 110.766 -178.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.416 ' CG ' ' CE1' ' A' ' 67' ' ' TYR . 59.7 Cg_endo -79.54 128.72 8.01 Favored 'Trans proline' 0 C--N 1.308 -1.602 0 C-N-CA 122.739 2.293 . . . . 0.0 112.443 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -87.87 -24.54 23.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.709 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.499 ' O ' ' C ' ' A' ' 75' ' ' VAL . 53.9 mmtt -66.24 -47.55 73.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.696 -178.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.499 ' C ' ' O ' ' A' ' 74' ' ' LYS . 74.0 t 27.48 80.29 0.22 Allowed Pre-proline 0 N--CA 1.463 0.205 0 O-C-N 123.944 0.777 . . . . 0.0 110.662 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.47 125.14 17.95 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.332 2.021 . . . . 0.0 111.516 -179.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.0 t -80.82 -20.76 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.8 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.438 ' O ' ' OG ' ' A' ' 81' ' ' SER . 65.5 p -45.62 -29.85 1.34 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.098 -179.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.36 -33.01 70.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.076 0.465 . . . . 0.0 110.697 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -72.82 -35.1 67.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.244 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 78' ' ' THR . 69.1 p -68.95 -39.74 79.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.717 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.582 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 2.9 m-85 -61.38 -46.28 90.85 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.626 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 29.4 t90 -58.36 -44.21 88.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.126 -179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -63.19 -44.93 93.98 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.273 -179.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 60.0 tp -68.17 -48.46 65.24 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-O 121.173 0.511 . . . . 0.0 110.841 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -62.41 -38.28 80.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.182 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 35.6 tttt -53.61 -45.63 70.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.788 -178.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.29 -19.09 47.48 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.236 -179.338 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.75 -42.85 99.5 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.402 -177.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.7 mt -61.53 -42.95 95.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.227 -179.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -64.97 -10.06 26.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.429 -178.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -68.11 133.95 49.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.611 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -63.98 -29.43 70.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.614 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -67.98 55.17 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.925 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 4.2 m -110.57 129.52 65.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 121.096 0.474 . . . . 0.0 110.443 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.541 ' ND2' ' OE1' ' A' ' 4' ' ' GLU . 0.9 OUTLIER -69.24 162.45 65.83 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.771 -179.476 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.544 ' O ' ' N ' ' A' ' 99' ' ' VAL . 71.4 Cg_exo -41.7 -23.18 0.21 Allowed 'Trans proline' 0 C--N 1.309 -1.544 0 C-N-CA 122.842 2.361 . . . . 0.0 111.94 179.311 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 102' ' ' ALA . 5.1 pt20 -44.27 -15.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.319 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.544 ' N ' ' O ' ' A' ' 97' ' ' PRO . 92.2 t -62.2 -46.13 97.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.745 0.307 . . . . 0.0 110.389 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 54.9 ttp -66.03 -36.18 82.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.421 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -83.64 -19.18 35.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.8 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 98' ' ' GLN . . . -69.83 -49.97 47.41 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.889 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 32.3 t -62.13 -43.08 97.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.116 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -39.67 -45.9 1.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.597 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.536 ' O ' ' CZ ' ' A' ' 45' ' ' PHE . 95.3 mm-40 -106.91 86.27 2.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.693 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.8 p -115.58 -12.54 11.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.69 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -75.61 179.94 5.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.276 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.409 ' O ' ' OE1' ' A' ' 115' ' ' GLN . 79.1 mm-40 -111.02 122.64 48.42 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.292 179.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.441 HD12 HG21 ' A' ' 109' ' ' ILE . 35.7 pt -52.13 -30.5 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.708 -179.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 112' ' ' SER . 57.8 mt -65.38 -34.12 77.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.45 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 110' ' ' LEU . 87.8 tttt -35.16 92.98 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.559 -179.506 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 110' ' ' LEU . 73.8 p -73.97 -11.07 60.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.784 -179.584 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -62.23 -41.27 98.26 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.576 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.7 t 178.8 90.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.417 ' HG2' ' H ' ' A' ' 116' ' ' THR . 10.6 tt0 -174.16 -149.2 0.04 OUTLIER 'General case' 0 C--O 1.226 -0.15 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.674 179.412 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.417 ' H ' ' HG2' ' A' ' 115' ' ' GLN . 11.7 m -59.99 -43.88 94.87 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.699 -179.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -59.21 -45.6 90.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.39 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 54.1 tp -168.32 89.27 0.25 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.454 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.543 ' C ' ' H ' ' A' ' 121' ' ' HIS . 71.2 mm-40 -46.38 -23.85 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.341 . . . . 0.0 110.592 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 56.63 3.93 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.712 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.543 ' H ' ' C ' ' A' ' 119' ' ' GLU . 89.3 m-70 -113.83 125.66 54.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.477 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 81.0 m80 -116.08 131.8 56.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.615 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 53.8 m80 -64.84 -42.7 94.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.534 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 71.0 m80 -67.68 -37.41 82.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.634 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.44 ' ND1' ' OXT' ' A' ' 125' ' ' HIS . 55.7 t-80 . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.569 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . 0.832 H143 ' CE2' ' A' ' 11' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.637 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.463 ' C ' ' N ' ' A' ' 5' ' ' LEU . 49.1 tt0 -48.06 -23.11 0.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.79 0.328 . . . . 0.0 110.563 179.431 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.54 ' OE2' ' H51' ' A' ' 1' ' ' MYR . 75.3 tt0 -44.38 -19.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.566 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.463 ' N ' ' C ' ' A' ' 3' ' ' GLN . 56.6 tp -43.94 -32.56 1.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.583 179.532 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.6 p -51.74 -33.64 35.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.555 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -53.82 -46.49 71.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.581 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -54.51 -49.29 70.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.537 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -47.73 -34.65 8.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.555 178.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 41.6 mtm180 -81.54 -45.41 15.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.564 179.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.832 ' CE2' H143 ' A' ' 1' ' ' MYR . 85.6 t80 -52.51 -43.85 65.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.647 179.032 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.5 t -60.07 -54.79 29.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.563 -179.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -65.38 -36.33 83.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.583 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.585 ' O ' ' N ' ' A' ' 17' ' ' GLN . 66.9 tp60 -72.78 -73.29 0.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.58 -179.524 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.471 ' C ' ' O ' ' A' ' 14' ' ' GLN . 0.2 OUTLIER -34.5 -46.69 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.594 179.796 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.5 mttp -62.92 -41.63 99.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.527 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.585 ' N ' ' O ' ' A' ' 14' ' ' GLN . 66.4 mt-30 -65.98 -57.4 7.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.549 177.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.77 -15.74 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.558 178.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.519 ' CD1' ' CZ ' ' A' ' 82' ' ' TYR . 5.4 mt -86.92 -48.85 7.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.547 179.185 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -44.49 -34.47 2.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.571 179.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.5 t -63.91 -29.38 70.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.518 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 19' ' ' LEU . 26.5 mmt-85 -77.22 -8.37 57.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.578 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 106.76 23.62 7.06 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 5.7 t -102.01 169.91 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.731 0.301 . . . . 0.0 110.621 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -114.38 144.18 43.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.544 178.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.55 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 18.1 m -117.73 88.43 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.572 -179.481 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.538 ' HG2' ' H ' ' A' ' 28' ' ' TYR . 15.6 ttmt -109.35 165.36 11.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.572 179.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.538 ' H ' ' HG2' ' A' ' 27' ' ' LYS . 93.5 m-85 -56.93 -41.4 78.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.574 179.268 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.84 -20.71 6.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.579 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.446 ' HB2' ' O ' ' A' ' 27' ' ' LYS . 76.5 m-20 -72.75 -41.13 65.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.586 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.531 ' O ' ' CB ' ' A' ' 35' ' ' PHE . 4.0 mp -63.99 -41.55 97.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.553 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.2 mt -55.92 -53.78 52.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.522 -178.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 37' ' ' PHE . 87.8 tttt -77.64 -49.55 14.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.575 -177.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -60.18 -39.92 88.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.582 -177.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.531 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 11.2 t80 -74.45 -47.31 34.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.496 -177.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -75.8 -19.87 58.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.629 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.465 ' N ' ' O ' ' A' ' 33' ' ' LYS . 3.0 t80 -60.63 -52.07 66.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.586 -179.341 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.549 ' O ' ' N ' ' A' ' 42' ' ' CYS . 0.3 OUTLIER -77.89 -35.0 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.55 179.796 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 40' ' ' ASP . 75.6 tttt -54.19 -36.58 63.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.601 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 39' ' ' LYS . 66.6 t0 -39.49 -60.42 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.543 -179.372 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 42' ' ' CYS . 2.2 p -111.15 -6.5 14.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.509 -179.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.607 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 16.8 p 36.45 60.31 3.34 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.571 -178.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.566 ' C ' ' H ' ' A' ' 45' ' ' PHE . 55.2 Cg_endo -79.94 -8.04 14.36 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.905 2.403 . . . . 0.0 112.112 -179.131 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.474 ' CD1' H131 ' A' ' 1' ' ' MYR . 0.4 OUTLIER -71.86 20.61 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.501 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.576 ' O ' ' N ' ' A' ' 49' ' ' GLY . 2.4 m-85 56.05 82.08 0.25 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.619 179.332 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -49.41 -24.32 8.63 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.846 2.364 . . . . 0.0 112.102 -177.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.418 ' O ' ' H42' ' A' ' 1' ' ' MYR . 75.9 mt-30 -84.39 -51.84 6.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.567 -178.345 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.484 ' O ' ' H52' ' A' ' 1' ' ' MYR . 0.5 OUTLIER -88.45 -12.24 43.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.596 -178.683 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.577 ' O ' ' H72' ' A' ' 1' ' ' MYR . . . 39.59 28.74 0.13 Allowed Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -178.388 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 48' ' ' GLU . 8.8 t -91.0 169.85 10.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.775 0.322 . . . . 0.0 110.56 -179.043 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -101.61 141.16 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.611 178.159 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -135.16 123.68 23.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.522 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.403 HG23 HD12 ' A' ' 53' ' ' ILE . 31.8 mm -72.03 -40.74 67.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.534 -179.504 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -61.9 -59.58 4.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.531 -178.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -62.69 -31.03 71.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.601 -179.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 23.9 t-105 -58.59 -40.76 84.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.524 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 90.5 mtm180 -66.79 -33.39 75.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.59 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.526 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 78.4 ttt-85 -62.33 -53.4 55.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.522 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 p -64.47 -40.51 89.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.602 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -60.67 -48.77 84.58 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -71.0 -39.11 72.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.744 0.306 . . . . 0.0 110.525 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.526 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 97.3 m -63.42 -37.62 87.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.543 -178.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -82.37 -42.41 18.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.522 -179.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -65.41 -36.84 85.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.592 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -64.67 -54.39 32.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.552 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.452 ' O ' ' OG1' ' A' ' 69' ' ' THR . 22.9 m-85 -69.21 -41.28 77.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.535 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.462 ' O ' ' N ' ' A' ' 71' ' ' GLY . 51.6 t80 -62.07 -46.75 87.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.518 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 61.4 t-20 -64.43 -38.94 92.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.584 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 66' ' ' TYR . 39.9 p -63.58 -32.94 74.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.621 -179.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -110.97 11.43 22.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.601 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 67' ' ' TYR . . . -130.94 -156.82 8.68 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -79.82 159.35 24.6 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.817 2.345 . . . . 0.0 112.117 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -80.79 -26.19 37.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.557 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.469 ' O ' ' O ' ' A' ' 75' ' ' VAL . 21.9 mtpt -62.3 -46.98 86.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.55 179.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.469 ' O ' ' O ' ' A' ' 74' ' ' LYS . 26.9 t 59.1 131.55 0.02 OUTLIER Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.508 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -50.24 123.5 11.2 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.83 2.353 . . . . 0.0 112.107 178.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 65.3 t -82.71 -25.06 8.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.531 -179.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.1 p -47.89 -27.34 2.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.6 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.84 -23.19 60.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.6 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -70.6 -34.76 72.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.572 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 41.2 m -70.15 -40.75 74.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.548 -179.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.519 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 2.8 m-85 -58.45 -50.01 75.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.581 -179.403 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 18.9 t90 -59.55 -41.7 90.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.538 -179.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -65.73 -42.82 90.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.508 -178.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 57.0 tp -71.06 -42.18 69.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.563 -177.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -69.83 -34.47 60.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.583 179.044 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 40.5 tttt -57.96 -38.17 75.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.574 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -87.17 -22.83 25.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.618 -178.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.89 -45.72 89.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.525 -178.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 9.8 mt -61.99 -43.02 97.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.548 -179.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -60.62 -35.48 76.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.598 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -66.96 145.34 55.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.602 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -70.02 -2.01 11.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.528 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 69.4 tt0 -76.69 55.58 1.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.549 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 8.5 m -115.99 134.44 59.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.568 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.53 ' O ' ' N ' ' A' ' 98' ' ' GLN . 0.0 OUTLIER -67.09 166.22 21.61 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.561 -179.63 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.531 ' C ' ' H ' ' A' ' 99' ' ' VAL . 77.7 Cg_exo -41.65 -16.86 0.06 OUTLIER 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.725 2.284 . . . . 0.0 112.165 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.53 ' N ' ' O ' ' A' ' 96' ' ' ASN . 6.4 pt20 -46.2 -13.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.577 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.531 ' H ' ' C ' ' A' ' 97' ' ' PRO . 97.7 t -59.47 -48.63 86.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.604 -179.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 54.5 mtt -65.65 -44.22 87.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.546 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.476 ' O ' ' CG ' ' A' ' 48' ' ' GLU . . . -74.96 -18.21 60.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.554 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 98' ' ' GLN . . . -73.71 -41.19 62.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.539 -178.527 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.403 ' O ' ' OG1' ' A' ' 106' ' ' THR . 30.1 t -45.32 -34.39 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.516 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.71 -33.73 64.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.538 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -63.3 -44.51 94.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.594 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 103' ' ' VAL . 36.3 p -66.89 -31.59 72.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.576 179.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -86.57 152.54 22.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.566 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -71.83 124.59 25.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.542 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.418 ' O ' ' OG ' ' A' ' 112' ' ' SER . 44.0 pt -53.57 -22.82 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.543 -179.376 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.12 -41.88 94.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.596 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -68.16 -38.61 82.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.561 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.432 ' HG ' ' H ' ' A' ' 113' ' ' ASN . 87.6 p -54.58 -48.46 72.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.606 -179.091 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.432 ' H ' ' HG ' ' A' ' 112' ' ' SER . 87.6 m-20 -61.16 -44.65 96.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.576 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 44.4 p -163.36 155.69 18.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.577 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -99.43 9.52 43.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.565 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.413 ' HG1' ' N ' ' A' ' 117' ' ' ASP . 40.3 p -58.5 -43.77 89.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.578 -179.478 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.413 ' N ' ' HG1' ' A' ' 116' ' ' THR . 72.9 m-20 -60.06 -48.49 81.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.538 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 89.8 mt -128.7 75.33 1.63 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.593 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -83.77 92.19 7.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.621 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 64.8 m80 -63.47 -45.83 89.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.547 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -102.64 121.02 41.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.531 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 53.0 m80 -58.99 -46.45 88.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.56 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 71.8 m-70 -118.87 142.13 48.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.501 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 68.9 m80 -65.86 -43.26 88.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.616 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 39.2 t-80 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.039 -0.982 . . . . 0.0 110.538 179.898 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . 0.658 H142 ' CE1' ' A' ' 11' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.644 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.493 ' O ' ' N ' ' A' ' 5' ' ' LEU . 86.4 mt-30 -66.06 -34.15 77.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.81 0.338 . . . . 0.0 110.553 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -42.08 -22.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.556 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 3' ' ' GLN . 28.9 tp -46.5 -33.83 4.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.581 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.4 p -56.2 -34.5 66.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.561 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -57.26 -41.99 80.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.601 179.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -59.35 -50.4 74.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.572 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -49.46 -34.72 17.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.578 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -77.29 -52.27 9.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.551 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.658 ' CE1' H142 ' A' ' 1' ' ' MYR . 68.3 t80 -49.57 -43.81 46.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.593 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.5 t -59.62 -57.75 10.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.637 -178.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.6 -43.63 84.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.575 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.638 ' O ' ' N ' ' A' ' 17' ' ' GLN . 65.8 tp60 -63.83 -78.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.566 -179.251 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.487 ' C ' ' O ' ' A' ' 14' ' ' GLN . 0.2 OUTLIER -32.2 -42.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.59 179.645 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.575 ' HZ2' ' CD1' ' A' ' 31' ' ' LEU . 66.0 mttt -63.71 -43.03 97.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.539 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.638 ' N ' ' O ' ' A' ' 14' ' ' GLN . 71.1 mt-30 -60.1 -58.32 9.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.53 178.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.493 ' O ' ' CG2' ' A' ' 21' ' ' THR . . . -52.57 -16.7 0.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.554 178.331 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.545 ' O ' ' N ' ' A' ' 22' ' ' ARG . 5.8 mt -90.36 -49.7 6.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.606 178.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 19' ' ' LEU . 64.0 tttm -38.02 -42.77 0.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.597 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.493 ' CG2' ' O ' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -55.58 -37.55 68.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.613 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.545 ' N ' ' O ' ' A' ' 19' ' ' LEU . 75.4 mmt-85 -69.0 -9.77 54.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.497 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.32 29.53 4.2 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.5 t -104.61 169.8 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.867 0.365 . . . . 0.0 110.574 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -112.14 148.36 34.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.565 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.4 m -120.69 17.21 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.586 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.536 ' NZ ' ' OD2' ' A' ' 30' ' ' ASP . 19.0 pttp -52.43 164.59 0.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.552 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -60.56 -34.44 74.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.542 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.85 -22.17 58.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.577 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.536 ' OD2' ' NZ ' ' A' ' 27' ' ' LYS . 81.3 m-20 -72.04 -42.92 65.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.564 -179.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.575 ' CD1' ' HZ2' ' A' ' 16' ' ' LYS . 4.6 mp -61.34 -43.59 98.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.563 -179.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 51.4 mt -48.6 -67.27 0.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.555 -178.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.536 ' O ' ' N ' ' A' ' 37' ' ' PHE . 88.8 tttt -69.4 -49.13 58.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.585 -177.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.44 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 59.1 t80 -57.82 -42.82 85.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.656 -176.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.529 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 17.1 t80 -71.1 -47.38 58.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.585 -177.55 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -76.86 -19.92 56.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.566 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.536 ' N ' ' O ' ' A' ' 33' ' ' LYS . 3.5 t80 -63.2 -51.99 64.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.601 -178.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.537 ' O ' ' N ' ' A' ' 42' ' ' CYS . 3.3 m -75.1 -37.64 40.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.561 -179.399 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 40' ' ' ASP . 50.0 tttp -60.1 -38.98 84.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.498 -179.158 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 39' ' ' LYS . 94.0 m-20 -39.24 -52.14 1.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.514 -179.613 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.463 ' O ' ' C ' ' A' ' 42' ' ' CYS . 17.9 p -113.88 -4.21 13.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.531 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.537 ' N ' ' O ' ' A' ' 38' ' ' VAL . 6.9 p 35.04 60.52 2.41 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.619 -179.565 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -78.25 -35.89 1.14 Allowed 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.865 2.377 . . . . 0.0 112.141 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.584 ' CH2' ' CE3' ' A' ' 56' ' ' TRP . 0.1 OUTLIER -77.6 3.21 14.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.586 -179.47 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.563 ' C ' ' H ' ' A' ' 47' ' ' GLN . 60.9 m-85 55.33 50.31 5.82 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.519 -179.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 45' ' ' PHE . 6.4 Cg_endo -48.09 -6.29 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.821 2.347 . . . . 0.0 112.064 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.563 ' H ' ' C ' ' A' ' 45' ' ' PHE . 98.5 mm-40 -62.93 -56.24 18.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.502 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.51 ' HA ' ' H52' ' A' ' 1' ' ' MYR . 51.2 tp10 -92.78 -30.2 15.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.518 179.374 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.53 87.12 1.37 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.8 t -142.68 166.64 24.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.782 0.325 . . . . 0.0 110.595 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.428 ' O ' ' OD2' ' A' ' 52' ' ' ASP . 0.3 OUTLIER -117.56 136.9 53.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.595 179.617 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.531 ' H ' ' HE1' ' A' ' 44' ' ' TRP . 96.3 m-20 -139.85 122.01 15.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.554 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.447 HG22 HD12 ' A' ' 53' ' ' ILE . 30.0 mm -75.68 -39.97 39.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.574 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -64.55 -53.38 48.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.607 -178.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.47 ' CZ ' ' CZ ' ' A' ' 45' ' ' PHE . 78.8 mtp85 -64.13 -33.82 76.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.567 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.584 ' CE3' ' CH2' ' A' ' 44' ' ' TRP . 13.4 t-105 -58.38 -37.41 75.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.62 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 71.4 ttp85 -66.97 -39.79 87.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.637 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.498 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 94.4 mtt-85 -57.33 -52.26 66.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.52 -179.603 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.8 p -66.25 -33.02 60.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.555 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.06 -46.13 82.73 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -75.92 -34.27 59.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.829 0.347 . . . . 0.0 110.552 -179.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 91.4 m -65.58 -38.86 90.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.564 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -82.17 -40.46 21.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.533 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -66.12 -35.99 81.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.545 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -66.75 -52.92 38.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.558 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.508 ' O ' ' OG1' ' A' ' 69' ' ' THR . 7.7 m-85 -67.97 -38.18 82.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.528 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.422 ' CE1' ' CG ' ' A' ' 72' ' ' PRO . 57.8 t80 -69.27 -41.27 77.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.536 -179.561 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.501 ' O ' ' N ' ' A' ' 71' ' ' GLY . 43.5 t-20 -62.79 -40.78 98.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.593 -178.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.508 ' OG1' ' O ' ' A' ' 66' ' ' TYR . 76.1 p -49.52 -19.54 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.607 -179.108 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -93.58 15.27 16.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.588 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 39.29 61.66 1.43 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.422 ' CG ' ' CE1' ' A' ' 67' ' ' TYR . 57.6 Cg_endo -80.3 132.61 9.28 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.854 2.369 . . . . 0.0 112.13 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -89.74 -32.1 17.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.537 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.514 ' O ' ' C ' ' A' ' 75' ' ' VAL . 50.8 mmtt -61.64 -49.07 78.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.6 -178.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.514 ' C ' ' O ' ' A' ' 74' ' ' LYS . 99.3 t 29.98 85.0 0.15 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.574 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_exo -55.87 125.23 18.42 Favored 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 122.772 2.315 . . . . 0.0 112.16 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 62.3 t -82.24 -22.91 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.569 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.428 ' O ' ' OG ' ' A' ' 81' ' ' SER . 21.7 p -44.56 -31.69 1.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.519 179.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.78 -35.03 68.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.512 179.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -73.74 -34.88 64.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.552 -179.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' A' ' 78' ' ' THR . 77.9 p -69.12 -37.46 78.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.581 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.487 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 2.9 m-85 -61.89 -49.11 77.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.533 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 29.6 t90 -60.4 -38.13 82.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.541 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -63.3 -51.34 66.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.644 -178.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 62.2 tp -65.15 -50.06 67.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.584 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -61.53 -40.22 85.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.547 -179.557 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 53.9 tttt -50.78 -49.02 59.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.572 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.424 ' C ' ' CD ' ' A' ' 88' ' ' GLU . 0.5 OUTLIER -84.49 -17.64 38.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.524 -178.83 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 33.2 tp -60.79 -43.32 98.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.609 -178.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 30.5 mt -61.54 -45.37 98.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.53 -179.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -63.31 -11.72 24.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.612 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -62.7 -42.14 99.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.594 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.611 ' C ' ' H ' ' A' ' 95' ' ' VAL . 97.8 mttt -145.37 154.59 42.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.567 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.491 ' O ' ' O ' ' A' ' 95' ' ' VAL . 80.8 mm-40 -69.65 30.05 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.602 179.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.611 ' H ' ' C ' ' A' ' 93' ' ' LYS . 31.7 m 34.08 -155.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.582 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.525 ' C ' ' OD1' ' A' ' 96' ' ' ASN . 0.6 OUTLIER -154.14 175.51 3.01 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.576 -179.53 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.663 ' O ' ' N ' ' A' ' 99' ' ' VAL . 51.1 Cg_exo -53.06 -32.89 60.68 Favored 'Trans proline' 0 C--N 1.304 -1.784 0 C-N-CA 122.863 2.375 . . . . 0.0 112.11 -177.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.522 ' CG ' ' OD1' ' A' ' 96' ' ' ASN . 3.5 pt20 -37.64 -20.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.585 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.663 ' N ' ' O ' ' A' ' 97' ' ' PRO . 99.3 t -62.27 -44.43 99.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.571 178.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 97' ' ' PRO . 77.7 mtm -71.19 -40.48 71.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.599 -179.261 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -59.59 -23.84 63.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.575 -179.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.11 -40.33 74.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.585 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.499 ' C ' ' H ' ' A' ' 105' ' ' GLN . 49.9 t -54.53 -40.13 48.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.587 178.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.72 -9.58 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.623 179.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.499 ' H ' ' C ' ' A' ' 103' ' ' VAL . 75.5 mt-30 54.76 -109.58 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.571 -179.342 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 86.2 m -128.78 126.08 39.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.55 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -135.38 146.78 48.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.582 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -82.33 120.28 25.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.592 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 41.4 pt -48.43 -23.3 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.562 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 95.0 mt -66.89 -38.26 85.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.549 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -64.36 -31.54 72.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.542 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 44.9 t -60.62 -47.04 88.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.532 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -67.78 -43.53 79.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.562 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 69.1 p -166.22 155.34 11.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.558 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.572 ' O ' ' N ' ' A' ' 119' ' ' GLU . 61.3 mt-30 -99.23 36.8 1.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.595 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 11.6 m -62.75 -43.84 97.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.58 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -60.44 -47.41 86.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.532 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' A' ' 119' ' ' GLU . 89.7 mt -94.28 2.67 55.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.502 -179.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.572 ' N ' ' O ' ' A' ' 115' ' ' GLN . 93.7 mt-10 41.01 -163.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.572 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 73.8 m-70 -65.03 -43.69 91.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.589 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 59.7 m80 -87.47 119.89 28.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.571 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -61.49 -44.21 97.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.59 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -116.23 124.67 50.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.573 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 67.9 m80 -74.86 147.53 41.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.578 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 . . . . . 0 C--O 1.221 -0.423 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.587 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . 0.759 H143 ' CE2' ' A' ' 11' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.659 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -53.63 -26.59 22.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.78 0.324 . . . . 0.0 110.632 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.665 ' OE1' ' H51' ' A' ' 1' ' ' MYR . 92.2 mt-10 -49.47 -20.19 0.68 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.374 179.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 40.3 tp -44.44 -29.01 0.63 Allowed 'General case' 0 C--O 1.239 0.542 0 CA-C-O 121.257 0.551 . . . . 0.0 110.465 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 t -55.11 -28.6 53.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.258 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.742 HE22 HH11 ' A' ' 10' ' ' ARG . 67.5 tp60 -57.2 -46.64 82.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.388 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.568 ' CE1' H102 ' A' ' 1' ' ' MYR . 85.8 m-70 -59.39 -47.85 83.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.132 179.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -50.26 -34.14 22.17 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.142 0.496 . . . . 0.0 110.297 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.742 HH11 HE22 ' A' ' 7' ' ' GLN . 53.7 ttp180 -79.33 -49.93 11.66 Favored 'General case' 0 C--O 1.215 -0.737 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.453 179.143 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.759 ' CE2' H143 ' A' ' 1' ' ' MYR . 43.0 t80 -52.98 -41.75 64.89 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.089 0.471 . . . . 0.0 110.35 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.2 t -62.2 -60.58 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.271 -179.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -69.08 -45.35 70.54 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.301 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.56 ' O ' ' N ' ' A' ' 17' ' ' GLN . 65.0 tp60 -65.22 -77.22 0.06 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.613 -179.051 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.462 ' C ' ' O ' ' A' ' 14' ' ' GLN . 0.5 OUTLIER -34.7 -46.0 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.611 -178.678 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.624 ' HZ3' ' CD1' ' A' ' 31' ' ' LEU . 69.8 mttt -53.52 -43.99 68.79 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.605 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.56 ' N ' ' O ' ' A' ' 14' ' ' GLN . 86.2 mt-30 -60.9 -54.66 42.37 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.078 0.466 . . . . 0.0 109.814 178.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.21 -14.75 2.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.497 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.517 ' CD1' ' CZ ' ' A' ' 82' ' ' TYR . 3.4 mt -88.41 -50.98 5.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.987 178.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -43.01 -42.64 3.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.673 -179.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.72 -31.13 68.0 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.684 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 19' ' ' LEU . 79.1 mmt-85 -71.17 -8.08 51.06 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.577 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.49 21.08 8.14 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.472 ' CG1' ' H ' ' A' ' 25' ' ' LYS . 21.2 t -103.39 171.54 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.678 0.275 . . . . 0.0 110.611 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.472 ' H ' ' CG1' ' A' ' 24' ' ' VAL . 60.4 mttp -115.33 144.85 43.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.393 179.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.521 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 18.8 m -124.0 84.25 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 121.102 0.477 . . . . 0.0 110.576 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.7 pttt -108.3 166.15 10.97 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.812 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -55.83 -37.32 68.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.107 0.48 . . . . 0.0 110.625 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.12 -21.79 59.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.673 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -71.59 -40.83 69.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.794 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.624 ' CD1' ' HZ3' ' A' ' 16' ' ' LYS . 4.3 mp -63.94 -40.8 97.28 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-O 121.126 0.489 . . . . 0.0 110.269 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 46.1 mt -58.22 -53.52 57.35 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.429 -0.508 . . . . 0.0 111.092 -178.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -75.24 -53.72 8.31 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.13 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -55.64 -42.1 74.52 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.47 -177.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.482 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 5.3 t80 -72.07 -44.19 63.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.125 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -74.73 -22.59 58.73 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 121.018 0.437 . . . . 0.0 110.676 -179.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -64.23 -53.56 47.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.765 -178.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' A' ' 42' ' ' CYS . 3.8 m -74.75 -37.16 42.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.007 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -56.65 -31.24 64.19 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.535 -179.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -43.53 -63.75 0.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.856 -179.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 46.3 p -114.69 -5.93 12.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.853 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.517 ' N ' ' O ' ' A' ' 38' ' ' VAL . 3.9 m 48.04 63.86 9.57 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.14 0.495 . . . . 0.0 110.631 -178.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.667 ' C ' ' H ' ' A' ' 45' ' ' PHE . 8.4 Cg_exo -70.77 -20.88 29.52 Favored 'Trans proline' 0 C--N 1.302 -1.868 0 C-N-CA 123.034 2.489 . . . . 0.0 112.291 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.55 ' NE1' H141 ' A' ' 1' ' ' MYR . 0.1 OUTLIER -64.8 27.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.691 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.667 ' H ' ' C ' ' A' ' 43' ' ' PRO . 0.1 OUTLIER 58.28 93.68 0.05 OUTLIER Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.215 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -75.78 -10.53 19.99 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.819 2.346 . . . . 0.0 112.25 -178.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -84.29 -56.86 3.42 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.671 ' O ' ' H52' ' A' ' 1' ' ' MYR . 19.7 pt-20 -90.49 -30.7 17.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.813 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.502 ' O ' ' H72' ' A' ' 1' ' ' MYR . . . 75.16 62.71 2.69 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.711 -0.956 . . . . 0.0 110.711 -179.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.1 t -139.99 170.28 16.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.855 0.36 . . . . 0.0 110.752 -179.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.2 mt -83.19 142.66 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.318 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.419 ' C ' ' OD2' ' A' ' 52' ' ' ASP . 56.6 t0 -140.31 121.72 15.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.089 0.471 . . . . 0.0 110.362 179.445 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.445 HG22 HD11 ' A' ' 53' ' ' ILE . 36.6 mm -71.22 -41.73 75.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.069 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -60.8 -56.87 16.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.239 -178.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.469 ' NH1' ' CZ ' ' A' ' 45' ' ' PHE . 92.9 mtt180 -62.49 -34.0 75.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.699 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.541 ' NE1' ' NE1' ' A' ' 83' ' ' TRP . 44.8 t-105 -57.52 -39.51 76.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.091 0.472 . . . . 0.0 110.649 -179.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -66.47 -37.55 85.35 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.389 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.504 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 60.3 ttt85 -60.43 -53.14 61.15 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.842 -179.385 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.4 p -63.26 -37.5 79.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.58 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -63.33 -47.59 86.38 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -71.99 -36.28 69.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.81 0.338 . . . . 0.0 110.783 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.504 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 85.5 m -64.5 -37.85 88.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.8 -179.451 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -84.98 -39.47 18.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.907 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -63.9 -39.74 94.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.335 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -66.74 -51.61 53.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.544 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.495 ' O ' ' OG1' ' A' ' 69' ' ' THR . 71.1 t80 -63.34 -40.07 96.28 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.537 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.421 ' CE2' ' CG ' ' A' ' 72' ' ' PRO . 59.9 t80 -69.9 -38.34 76.27 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.722 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.504 ' O ' ' N ' ' A' ' 71' ' ' GLY . 34.9 t30 -64.09 -40.04 95.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.054 -178.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.495 ' OG1' ' O ' ' A' ' 66' ' ' TYR . 55.1 p -48.4 -20.44 0.41 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.846 -179.106 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -92.27 14.87 15.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.786 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 40.48 60.11 2.12 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.421 ' CG ' ' CE2' ' A' ' 67' ' ' TYR . 58.6 Cg_endo -78.7 129.35 9.13 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 122.793 2.329 . . . . 0.0 112.22 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.5 tp10 -87.8 -27.12 22.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.641 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.519 ' O ' ' C ' ' A' ' 75' ' ' VAL . 54.7 mmtt -64.37 -47.29 79.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.86 -178.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.519 ' C ' ' O ' ' A' ' 74' ' ' LYS . 73.7 t 25.74 82.49 0.18 Allowed Pre-proline 0 C--O 1.232 0.165 0 O-C-N 123.793 0.683 . . . . 0.0 110.78 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.02 125.95 19.93 Favored 'Trans proline' 0 C--N 1.308 -1.574 0 C-N-CA 122.598 2.199 . . . . 0.0 111.761 -179.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 67.0 t -82.09 -26.64 9.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.785 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.6 p -44.28 -31.02 0.9 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.303 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.23 -31.62 65.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.019 0.438 . . . . 0.0 110.79 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -66.66 -40.09 88.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.972 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 71.3 m -60.6 -40.05 90.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.634 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.517 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 17.5 m-85 -60.01 -46.37 89.69 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.615 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.541 ' NE1' ' NE1' ' A' ' 56' ' ' TRP . 10.3 m0 -55.45 -48.36 74.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.112 -179.26 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -64.99 -41.76 95.11 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.307 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 53.5 tp -69.89 -58.36 3.96 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.102 -179.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -55.69 -39.16 53.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.918 0.39 . . . . 0.0 110.333 179.389 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 64.9 tttt -53.14 -48.94 67.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.548 -178.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.84 -17.23 38.68 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.246 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 29.5 tp -60.59 -42.27 96.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.485 -176.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 28.7 mt -60.38 -42.48 91.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.469 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -74.55 -5.44 42.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.556 -179.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -67.83 -5.95 19.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.721 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt 63.08 7.85 2.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.569 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -96.88 55.38 1.35 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.679 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 1.3 m -83.71 174.17 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.636 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.461 ' O ' ' N ' ' A' ' 98' ' ' GLN . 0.5 OUTLIER -111.58 167.0 9.74 Favored Pre-proline 0 C--N 1.331 -0.203 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.75 -179.906 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.531 ' C ' ' H ' ' A' ' 99' ' ' VAL . 78.3 Cg_exo -43.89 -16.44 0.1 OUTLIER 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 122.832 2.354 . . . . 0.0 112.179 179.088 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.473 ' OE1' ' O ' ' A' ' 49' ' ' GLY . 3.9 pt20 -46.96 -12.78 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.482 179.087 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.531 ' H ' ' C ' ' A' ' 97' ' ' PRO . 77.8 t -58.86 -49.04 84.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.34 -178.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 60.7 mtt -62.38 -47.08 85.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.993 0.425 . . . . 0.0 110.554 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -70.51 -17.51 62.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.661 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.426 ' CB ' ' OE2' ' A' ' 48' ' ' GLU . . . -89.96 -27.86 19.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.889 -179.576 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 65.6 t -59.77 -45.67 94.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.321 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.44 ' O ' ' O ' ' A' ' 105' ' ' GLN . . . -53.9 -36.95 63.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.604 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.44 ' O ' ' O ' ' A' ' 104' ' ' ALA . 58.3 tt0 33.97 92.05 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 O-C-N 123.474 0.484 . . . . 0.0 110.547 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 87.5 m -118.86 126.44 51.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.479 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.531 ' OE2' ' N ' ' A' ' 107' ' ' GLU . 43.3 mp0 -101.01 142.72 32.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.475 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -68.76 134.72 50.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.434 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 45.7 pt -57.32 -24.26 21.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.543 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 96.5 mt -64.61 -38.96 92.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.395 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -99.53 124.95 45.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.592 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 17.9 p -90.38 -171.44 3.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.426 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 -58.01 -43.65 86.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.502 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.3 p -106.07 179.22 4.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.521 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 56.03 -158.81 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.607 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.0 t -134.03 -158.04 0.85 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.658 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.423 ' O ' ' OD2' ' A' ' 117' ' ' ASP . 62.2 t0 -56.75 -39.45 74.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.389 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 43.8 tp -107.72 125.43 51.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.462 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -66.79 125.89 27.29 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 120.852 0.358 . . . . 0.0 110.528 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -66.03 -41.27 91.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.693 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 55.4 m80 -110.19 141.66 42.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.636 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -104.46 123.72 47.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.365 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -59.61 -46.08 90.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.497 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -111.94 130.45 55.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.487 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.526 ' O ' ' CG ' ' A' ' 125' ' ' HIS . 65.5 t60 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.957 -1.02 . . . . 0.0 110.533 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . 0.708 H121 ' CD2' ' A' ' 11' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.677 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -46.26 -21.7 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 110.59 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.55 ' OE1' ' NE2' ' A' ' 7' ' ' GLN . 69.1 mm-40 -49.46 -20.32 0.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.604 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 38.2 tp -46.59 -31.64 2.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.611 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.3 m -55.82 -35.92 66.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.552 179.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.55 ' NE2' ' OE1' ' A' ' 4' ' ' GLU . 89.3 mt-30 -55.99 -41.8 75.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.584 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -57.3 -51.39 69.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.638 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -48.01 -36.88 13.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.601 177.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 93.0 mtt-85 -77.84 -48.83 15.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.562 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.708 ' CD2' H121 ' A' ' 1' ' ' MYR . 66.3 t80 -47.29 -44.98 23.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.496 178.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.3 t -61.51 -53.84 43.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.521 -178.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -67.3 -45.6 76.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.584 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.667 ' O ' ' N ' ' A' ' 17' ' ' GLN . 68.2 tp60 -65.63 -78.74 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.563 -179.176 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.513 ' C ' ' O ' ' A' ' 14' ' ' GLN . 0.2 OUTLIER -30.23 -48.76 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.612 -179.765 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.675 ' HZ3' ' CD1' ' A' ' 31' ' ' LEU . 62.1 mttt -60.88 -41.09 95.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.629 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.667 ' N ' ' O ' ' A' ' 14' ' ' GLN . 75.5 mt-30 -66.33 -59.93 3.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.547 178.003 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.498 ' O ' ' CG2' ' A' ' 21' ' ' THR . . . -49.69 -15.94 0.21 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.568 177.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.512 ' CD1' ' CZ ' ' A' ' 82' ' ' TYR . 5.3 mt -88.13 -50.01 6.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.595 178.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -42.47 -38.12 1.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.58 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 18' ' ' ALA . 1.2 t -64.01 -32.06 73.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.56 -179.387 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 19' ' ' LEU . 24.9 mmm-85 -72.52 -6.52 44.47 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.532 -179.271 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 106.86 25.72 6.08 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 15.0 t -106.75 169.1 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.727 0.299 . . . . 0.0 110.601 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -115.62 144.54 43.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.568 178.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.513 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 22.2 m -122.6 85.11 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.522 -178.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.493 ' HD3' ' H ' ' A' ' 29' ' ' ALA . 11.8 tmtt? -110.12 161.99 15.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.572 178.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.402 ' N ' ' HD3' ' A' ' 27' ' ' LYS . 72.4 t80 -52.14 -30.84 28.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.534 -179.535 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.493 ' H ' ' HD3' ' A' ' 27' ' ' LYS . . . -61.81 -23.1 66.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.587 179.679 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.452 ' HB2' ' HZ2' ' A' ' 16' ' ' LYS . 88.3 m-20 -73.01 -41.91 63.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.559 -178.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.675 ' CD1' ' HZ3' ' A' ' 16' ' ' LYS . 2.8 mp -60.01 -43.74 95.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.589 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.3 mt -49.58 -66.59 0.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.61 -179.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.504 ' O ' ' N ' ' A' ' 37' ' ' PHE . 87.8 tttt -69.52 -54.07 16.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.58 -178.147 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.439 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 63.4 t80 -52.1 -45.76 64.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.541 -176.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.532 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 20.5 t80 -68.62 -42.46 78.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.57 -177.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -77.33 -20.78 54.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.624 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.504 ' N ' ' O ' ' A' ' 33' ' ' LYS . 77.9 t80 -61.93 -48.84 78.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.567 -178.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.538 ' O ' ' N ' ' A' ' 42' ' ' CYS . 2.9 m -80.01 -33.0 14.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.547 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.447 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 79.6 tttt -56.8 -33.39 66.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.503 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -42.27 -62.9 0.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.595 -179.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.5 p -116.33 -0.29 12.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.535 -179.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.568 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 20.0 m 40.13 61.99 6.05 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.502 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.604 ' C ' ' H ' ' A' ' 45' ' ' PHE . 8.0 Cg_exo -71.25 -18.67 30.11 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.757 2.305 . . . . 0.0 112.168 -179.455 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.604 ' NE1' H141 ' A' ' 1' ' ' MYR . 0.0 OUTLIER -68.55 28.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.564 -178.835 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.628 ' O ' ' N ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER 54.01 91.85 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.587 179.344 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -54.92 -36.35 91.69 Favored 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.826 2.351 . . . . 0.0 112.141 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -85.46 -43.57 13.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.551 -178.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.55 ' O ' ' H52' ' A' ' 1' ' ' MYR . 0.4 OUTLIER -85.46 -17.69 35.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.592 -178.559 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.628 ' N ' ' O ' ' A' ' 45' ' ' PHE . . . 43.67 23.31 0.33 Allowed Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -178.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.415 ' N ' ' C ' ' A' ' 48' ' ' GLU . 7.1 t -98.36 171.77 7.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.778 0.323 . . . . 0.0 110.577 -179.319 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.7 mt -90.13 141.6 14.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.545 178.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -135.29 120.29 18.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.58 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 26.9 mm -72.72 -41.29 62.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.571 -179.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -62.78 -54.69 35.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.584 -177.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 -66.1 -34.38 77.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.516 -179.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 41.1 t-105 -58.66 -36.96 74.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.561 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 77.4 mtp85 -67.86 -38.59 83.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.541 178.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.504 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 77.3 mtp85 -59.56 -52.0 67.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.604 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.2 p -63.57 -38.31 81.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.556 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -64.27 -50.21 61.35 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -69.58 -37.4 76.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.73 0.3 . . . . 0.0 110.5 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.504 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 68.1 m -62.15 -39.93 94.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.545 -179.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -82.89 -40.88 19.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.565 -179.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -63.63 -40.54 97.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.614 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -65.52 -50.99 63.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.615 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.519 ' O ' ' OG1' ' A' ' 69' ' ' THR . 61.1 t80 -63.83 -41.48 97.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.609 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -65.08 -38.85 92.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.563 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.541 ' O ' ' N ' ' A' ' 71' ' ' GLY . 90.5 m-20 -61.02 -41.4 96.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.554 -178.257 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.519 ' OG1' ' O ' ' A' ' 66' ' ' TYR . 81.0 p -46.82 -21.43 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.534 -178.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -89.93 15.67 9.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.601 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 38.65 59.44 1.62 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.396 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.407 ' HD3' ' N ' ' A' ' 71' ' ' GLY . 58.0 Cg_endo -78.07 132.61 11.71 Favored 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 122.804 2.336 . . . . 0.0 112.111 -179.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -89.38 -34.12 16.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.624 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.57 ' O ' ' C ' ' A' ' 75' ' ' VAL . 23.6 mtpt -59.93 -48.02 83.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.543 -178.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.57 ' C ' ' O ' ' A' ' 74' ' ' LYS . 72.0 t 24.11 84.87 0.11 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.572 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -56.93 124.23 15.74 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.881 2.387 . . . . 0.0 112.081 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 84.6 t -83.5 -22.86 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.599 -179.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 28.1 p -45.31 -27.34 0.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.56 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.27 -29.74 64.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.511 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.543 ' CE2' ' ND2' ' A' ' 84' ' ' ASN . 79.5 t80 -63.6 -38.98 93.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.59 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.1 m -66.59 -38.94 88.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.584 -178.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.512 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 6.5 m-85 -54.65 -52.13 63.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.569 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.577 ' N ' ' CD1' ' A' ' 83' ' ' TRP . 7.8 m0 -59.82 -41.94 92.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.545 -178.414 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.543 ' ND2' ' CE2' ' A' ' 80' ' ' PHE . 67.4 m-20 -66.23 -44.7 83.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.574 -178.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 56.9 tp -68.46 -53.85 20.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.578 -178.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.4 mt -60.28 -40.67 84.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.592 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -49.44 -50.69 39.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.532 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.438 ' C ' ' CD ' ' A' ' 88' ' ' GLU . 0.8 OUTLIER -85.4 -18.69 32.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.513 -178.469 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 41.7 tp -56.55 -42.36 78.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.629 -177.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 23.4 mt -62.45 -42.8 97.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.495 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -67.37 -11.11 56.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.518 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 70.0 tttt -64.55 130.6 44.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.596 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -58.77 -30.04 67.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.553 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -72.33 54.96 0.32 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.589 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 34.9 m -81.59 179.62 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.577 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.609 HD22 ' HB3' ' A' ' 98' ' ' GLN . 0.0 OUTLIER -131.37 161.08 64.15 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.575 -179.395 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.603 ' N ' ' OD1' ' A' ' 96' ' ' ASN . 73.8 Cg_exo -33.51 -35.53 0.08 OUTLIER 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.896 2.397 . . . . 0.0 112.083 -176.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.609 ' HB3' HD22 ' A' ' 96' ' ' ASN . 10.4 pt20 -45.77 -13.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.551 -179.046 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.542 ' N ' ' O ' ' A' ' 97' ' ' PRO . 75.9 t -62.14 -46.87 95.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.535 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 73.7 mtm -65.74 -35.75 81.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.518 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.479 ' O ' ' CG ' ' A' ' 48' ' ' GLU . . . -83.78 -20.34 33.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.578 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 98' ' ' GLN . . . -70.66 -49.73 44.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.582 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 44.3 t -49.89 -19.17 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.603 178.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.77 -39.51 89.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.527 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 42.69 -134.66 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.602 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 15.4 m -63.72 -49.0 74.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.552 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -140.51 158.6 43.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.531 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -79.02 126.22 30.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.554 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.408 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 41.1 pt -54.21 -26.86 15.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.572 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 95.6 mt -61.93 -40.67 96.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.579 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -67.85 -40.82 83.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.541 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 67.2 p -64.72 -43.65 92.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.637 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.408 ' ND2' ' O ' ' A' ' 109' ' ' ILE . 74.4 m-20 -62.31 -39.74 94.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.546 179.492 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 30.0 p -161.15 158.63 27.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.579 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.447 ' O ' ' O ' ' A' ' 118' ' ' LEU . 28.4 pt20 -103.24 16.07 27.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.59 -179.359 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.418 ' O ' ' OE2' ' A' ' 119' ' ' GLU . 5.9 m -62.2 -45.15 94.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.504 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -64.71 -40.13 94.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.577 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' A' ' 115' ' ' GLN . 87.4 mt -123.0 121.1 35.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.504 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.536 ' N ' ' OE1' ' A' ' 119' ' ' GLU . 53.0 mp0 -106.38 129.86 54.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.54 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -113.68 126.33 55.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.551 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 54.9 m80 -114.0 149.67 35.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.589 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.447 ' O ' ' CE1' ' A' ' 125' ' ' HIS . 14.9 m80 -73.82 -35.57 64.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.613 179.07 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -56.48 -40.21 74.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.573 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.49 ' O ' ' OXT' ' A' ' 125' ' ' HIS . 9.3 m-70 -67.52 -38.27 84.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.572 179.184 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.49 ' OXT' ' O ' ' A' ' 124' ' ' HIS . 29.1 m80 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.523 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . 0.593 ' H31' ' OE2' ' A' ' 4' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.755 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.514 ' O ' ' N ' ' A' ' 5' ' ' LEU . 98.6 mm-40 -58.63 -37.55 76.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.936 0.398 . . . . 0.0 110.455 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.593 ' OE2' ' H31' ' A' ' 1' ' ' MYR . 97.7 mt-10 -42.46 -20.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.077 179.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' A' ' 3' ' ' GLN . 53.4 tp -41.78 -31.97 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.098 -179.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.2 p -61.91 -35.38 78.19 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.079 0.466 . . . . 0.0 110.282 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.519 ' N ' ' O ' ' A' ' 4' ' ' GLU . 51.5 tt0 -53.32 -41.86 66.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.042 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.514 ' ND1' ' CE1' ' A' ' 35' ' ' PHE . 10.6 t-160 -65.26 -43.97 89.6 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -54.13 -24.4 17.69 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.394 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.404 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 84.0 mtp180 -81.86 -52.09 7.45 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.155 179.521 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -59.37 -36.54 75.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.272 0.558 . . . . 0.0 110.051 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.9 t -65.02 -56.55 15.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 C-N-CA 120.356 -0.538 . . . . 0.0 111.266 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -70.58 -30.38 67.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.865 0.364 . . . . 0.0 111.398 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 17' ' ' GLN . 69.3 tp60 -77.02 -72.98 0.32 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.747 -179.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -41.72 -43.61 2.93 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -178.301 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -62.86 -43.36 99.0 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.201 -0.6 . . . . 0.0 110.924 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 14' ' ' GLN . 1.0 OUTLIER -50.05 -51.45 42.34 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-O 121.824 0.821 . . . . 0.0 110.165 -179.223 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.536 ' O ' ' N ' ' A' ' 21' ' ' THR . . . -60.46 -58.13 9.78 Favored 'General case' 0 C--O 1.212 -0.89 0 C-N-CA 120.149 -0.62 . . . . 0.0 109.792 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.569 ' CD1' ' CE2' ' A' ' 82' ' ' TYR . 5.3 mt -41.19 -47.48 3.31 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 123.61 0.568 . . . . 0.0 109.949 -179.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -49.61 -34.47 18.1 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.536 ' N ' ' O ' ' A' ' 18' ' ' ALA . 0.7 OUTLIER -60.9 -33.21 72.78 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.081 179.334 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.2 mmt85 -73.25 11.3 0.77 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.465 -179.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.483 ' H ' ' C ' ' A' ' 21' ' ' THR . . . 95.43 -6.51 68.25 Favored Glycine 0 N--CA 1.465 0.611 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.4 t -70.44 168.69 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 120.931 -0.308 . . . . 0.0 110.46 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -123.56 130.6 52.91 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.175 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.484 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 20.2 m -120.29 102.99 13.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 CA-C-O 121.12 0.486 . . . . 0.0 110.674 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.6 pttt -109.65 164.73 12.27 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.977 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -56.74 -36.12 69.39 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.242 0.544 . . . . 0.0 110.378 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.31 -22.45 61.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.943 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -72.46 -36.16 68.43 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.478 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.7 mp -68.21 -40.12 82.21 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.475 0.655 . . . . 0.0 110.048 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.6 mt -60.87 -39.98 91.24 Favored 'General case' 0 C--N 1.313 -1.011 0 C-N-CA 119.955 -0.698 . . . . 0.0 111.261 -179.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -85.26 -49.18 8.4 Favored 'General case' 0 C--O 1.215 -0.733 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.859 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.448 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 82.2 t80 -61.65 -39.28 90.77 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.106 0.479 . . . . 0.0 112.247 -179.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.514 ' CE1' ' ND1' ' A' ' 8' ' ' HIS . 1.8 t80 -76.13 -51.62 11.82 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.554 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -64.07 -30.4 71.47 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 121.099 0.476 . . . . 0.0 110.94 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -59.88 -49.7 76.65 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.845 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.582 ' O ' ' N ' ' A' ' 42' ' ' CYS . 0.0 OUTLIER -66.7 -35.72 75.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.169 -0.612 . . . . 0.0 110.675 179.833 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.5 mttt -52.71 -34.7 53.6 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.792 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -46.02 -64.19 0.8 Allowed 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.496 -0.482 . . . . 0.0 111.438 -179.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.2 p -111.98 -25.22 9.5 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.944 0.402 . . . . 0.0 111.383 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.582 ' N ' ' O ' ' A' ' 38' ' ' VAL . 1.3 m 57.39 50.44 4.3 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-O 121.374 0.607 . . . . 0.0 110.253 -179.381 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.56 ' C ' ' H ' ' A' ' 45' ' ' PHE . 62.2 Cg_endo -78.83 -21.17 9.89 Favored 'Trans proline' 0 C--N 1.308 -1.564 0 C-N-CA 122.129 1.886 . . . . 0.0 112.635 -179.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.626 ' CZ3' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -71.1 23.66 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.291 -179.614 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.56 ' H ' ' C ' ' A' ' 43' ' ' PRO . 10.0 m-85 40.67 74.82 0.67 Allowed Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.532 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.573 ' O ' ' H72' ' A' ' 1' ' ' MYR . 40.9 Cg_endo -75.53 -11.23 20.55 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.545 2.163 . . . . 0.0 112.202 -179.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.465 ' O ' ' H52' ' A' ' 1' ' ' MYR . 86.7 mt-30 -66.8 -56.37 10.75 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.471 -0.491 . . . . 0.0 110.466 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.454 ' O ' ' OE1' ' A' ' 98' ' ' GLN . 12.2 pt-20 -94.1 -14.71 25.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.022 0.439 . . . . 0.0 110.299 178.53 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.525 ' O ' ' NE2' ' A' ' 98' ' ' GLN . . . 65.06 71.6 0.85 Allowed Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.428 ' CA ' HE22 ' A' ' 98' ' ' GLN . 8.9 t -125.61 169.32 12.6 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 110.476 -0.194 . . . . 0.0 110.476 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -113.0 142.62 24.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.779 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -144.25 121.6 11.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.685 0.279 . . . . 0.0 110.315 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.416 HD13 HG22 ' A' ' 53' ' ' ILE . 25.4 mm -71.01 -41.13 76.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.891 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -63.62 -58.31 7.34 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.83 -178.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -63.33 -35.9 81.92 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.508 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.626 ' CZ3' ' CZ3' ' A' ' 44' ' ' TRP . 21.5 t-105 -58.66 -40.18 82.75 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.952 -179.356 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 79.6 ttt-85 -65.2 -39.54 92.96 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.024 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.532 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 95.5 mtt-85 -58.76 -53.17 61.38 Favored 'General case' 0 C--O 1.226 -0.161 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.293 -179.366 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.7 p -64.47 -36.48 77.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.688 179.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.55 -54.11 36.5 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 120.628 -0.796 . . . . 0.0 111.748 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -70.49 -36.88 74.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.871 0.367 . . . . 0.0 111.13 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.532 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 91.0 m -63.1 -40.46 97.72 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.426 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -85.04 -46.32 11.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.303 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -60.21 -27.79 67.46 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.811 -179.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -76.63 -58.25 3.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.9 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.453 ' O ' ' OG1' ' A' ' 69' ' ' THR . 22.9 m-85 -64.43 -40.5 95.88 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.069 0.461 . . . . 0.0 111.493 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -62.98 -47.11 84.56 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -64.21 -39.25 93.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.743 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' A' ' 66' ' ' TYR . 51.5 p -58.25 -24.84 60.68 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.105 -179.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -115.34 8.07 15.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.251 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -148.93 -160.31 9.03 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -64.97 141.01 68.74 Favored 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 123.338 2.692 . . . . 0.0 111.757 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -82.33 -37.16 26.14 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.066 0.46 . . . . 0.0 110.027 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.561 ' O ' ' O ' ' A' ' 75' ' ' VAL . 35.8 mmtt -72.01 -45.94 59.01 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.637 -178.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.561 ' O ' ' O ' ' A' ' 74' ' ' LYS . 0.1 OUTLIER 44.04 169.95 0.0 OUTLIER Pre-proline 0 CA--C 1.546 0.794 0 O-C-N 124.543 1.152 . . . . 0.0 111.857 179.496 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -57.44 124.82 17.02 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 120.567 0.845 . . . . 0.0 111.446 178.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 46.5 t -84.99 -14.78 11.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.136 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 47.1 p -44.49 -24.7 0.2 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.059 0.457 . . . . 0.0 110.67 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.414 ' O ' ' CE2' ' A' ' 83' ' ' TRP . . . -58.87 -17.43 23.96 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.877 179.325 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -66.74 -42.33 86.4 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.175 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.4 m -61.9 -39.33 91.6 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 120.868 0.366 . . . . 0.0 110.756 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.569 ' CE2' ' CD1' ' A' ' 19' ' ' LEU . 14.5 m-85 -59.32 -50.16 75.04 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.94 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.594 ' N ' ' CD1' ' A' ' 83' ' ' TRP . 6.7 m0 -58.1 -40.84 82.2 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.764 -0.374 . . . . 0.0 111.278 -179.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -64.5 -46.13 84.31 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.763 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 60.5 tp -69.8 -51.87 30.02 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.753 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -59.8 -35.44 60.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 C-N-CA 120.602 -0.439 . . . . 0.0 109.9 -179.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 68.8 tttt -58.19 -45.85 86.83 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.56 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -84.59 -17.54 38.43 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.76 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 30.3 tp -64.15 -43.21 95.92 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -176.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 7.3 mt -62.54 -42.47 95.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.765 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -49.25 -34.07 14.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.364 -178.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -68.43 138.07 55.0 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.261 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -92.7 -3.63 54.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -87.28 15.29 6.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.544 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 1.6 t -111.38 90.42 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.668 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.502 ' N ' ' OD1' ' A' ' 96' ' ' ASN . 7.0 p-10 -125.6 78.87 68.25 Favored Pre-proline 0 N--CA 1.453 -0.3 0 C-N-CA 119.865 -0.734 . . . . 0.0 110.2 178.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -79.64 -30.39 2.44 Favored 'Trans proline' 0 C--N 1.314 -1.253 0 C-N-CA 123.115 2.544 . . . . 0.0 111.92 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.525 ' NE2' ' O ' ' A' ' 49' ' ' GLY . 39.8 mm-40 -50.34 -22.71 1.94 Allowed 'General case' 0 C--O 1.218 -0.602 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.101 -179.077 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 63.1 t -43.31 -65.83 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 C-N-CA 120.205 -0.598 . . . . 0.0 111.821 -178.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.431 ' O ' ' OE1' ' A' ' 4' ' ' GLU . 88.2 mmm -82.81 -42.01 18.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.284 0.564 . . . . 0.0 112.075 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.43 -18.18 26.41 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.767 -179.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.454 ' CB ' ' O ' ' A' ' 98' ' ' GLN . . . -90.69 -5.63 55.53 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.994 0.426 . . . . 0.0 110.8 179.554 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 97.7 t -77.69 -5.83 8.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.051 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.543 ' N ' ' OE1' ' A' ' 4' ' ' GLU . . . -63.11 -33.38 75.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.157 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.465 ' C ' ' O ' ' A' ' 104' ' ' ALA . 89.4 mt-30 28.53 89.6 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.272 0 O-C-N 124.252 0.97 . . . . 0.0 110.619 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 82.0 p -80.17 167.59 20.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.568 -179.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -134.97 154.11 51.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.462 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -71.09 130.33 41.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.036 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.442 ' O ' ' OG ' ' A' ' 112' ' ' SER . 43.7 pt -55.23 -23.96 14.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.017 0.436 . . . . 0.0 110.509 -179.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 97.5 mt -63.73 -41.11 98.1 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.2 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -67.36 -39.23 85.71 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.679 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' A' ' 109' ' ' ILE . 88.5 p -60.38 -46.21 90.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.753 -179.399 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -66.64 -42.63 86.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.507 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.3 t -158.47 135.27 9.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.441 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -87.97 36.02 0.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.503 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 73.7 p -69.54 -39.75 77.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.795 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -60.92 -47.31 87.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.181 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 80.5 mt -133.66 143.78 48.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.423 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -119.81 179.83 4.13 Favored 'General case' 0 C--N 1.333 -0.129 0 O-C-N 123.207 0.317 . . . . 0.0 110.184 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 48.8 m80 -121.59 138.06 54.48 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.383 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -108.89 133.0 53.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.286 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -110.44 136.75 49.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.518 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -129.23 147.19 51.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.772 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -65.79 -41.19 92.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.676 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 73.8 m80 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.654 179.907 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . 0.731 H141 ' HE1' ' A' ' 44' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.48 ' O ' ' OG ' ' A' ' 6' ' ' SER . . . . . . . . 0 CA--C 1.524 0.604 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -41.47 -59.53 1.56 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.894 0.378 . . . . 0.0 110.673 -179.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 5' ' ' LEU . 95.3 mt-10 -84.05 -65.27 1.03 Allowed 'General case' 0 CA--C 1.509 -0.627 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.835 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.437 ' CD1' ' N ' ' A' ' 6' ' ' SER . 2.0 tm? -39.5 -65.4 0.39 Allowed 'General case' 0 C--N 1.313 -0.979 0 C-N-CA 120.052 -0.659 . . . . 0.0 110.845 -176.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.614 ' OG ' ' H61' ' A' ' 1' ' ' MYR . 24.3 p -43.37 -44.62 5.74 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.756 -177.069 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.487 ' O ' ' CB ' ' A' ' 11' ' ' TYR . 44.0 tt0 -48.63 -60.93 2.31 Favored 'General case' 0 C--O 1.214 -0.766 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.076 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 49.6 m170 -52.3 -41.52 63.0 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.387 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -65.51 -62.76 1.34 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.977 -179.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.618 ' CZ ' HD22 ' A' ' 96' ' ' ASN . 95.8 mtt-85 -67.08 -45.96 75.71 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.758 -178.571 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.487 ' CB ' ' O ' ' A' ' 7' ' ' GLN . 45.8 t80 -49.82 -56.17 11.4 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.157 0.504 . . . . 0.0 110.39 -179.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.49 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 5.7 t -60.77 -61.44 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 C-N-CA 119.862 -0.735 . . . . 0.0 112.182 -179.23 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -58.11 -47.47 83.17 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.609 -0.437 . . . . 0.0 111.941 -178.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.527 ' O ' ' N ' ' A' ' 17' ' ' GLN . 73.0 tp60 -68.29 -75.4 0.1 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.663 -178.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 14' ' ' GLN . 0.2 OUTLIER -38.33 -48.98 1.38 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 123.671 0.607 . . . . 0.0 110.164 -177.61 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' A' ' 12' ' ' VAL . 25.9 mmtt -62.75 -38.48 90.73 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.813 0.339 . . . . 0.0 110.28 179.031 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.527 ' N ' ' O ' ' A' ' 14' ' ' GLN . 68.4 tp60 -70.42 -59.54 2.8 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.168 179.535 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.465 ' O ' ' CG2' ' A' ' 21' ' ' THR . . . -44.52 -20.85 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.024 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 22' ' ' ARG . 7.6 mt -85.01 -51.29 6.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.342 178.185 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -44.32 -41.07 5.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.894 -178.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.465 ' CG2' ' O ' ' A' ' 18' ' ' ALA . 0.8 OUTLIER -60.84 -29.94 69.81 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.397 -179.726 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 19' ' ' LEU . 58.0 mtt180 -80.85 14.11 2.34 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.699 -0.401 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.47 25.24 36.7 Favored Glycine 0 N--CA 1.468 0.793 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.409 ' CG1' ' N ' ' A' ' 25' ' ' LYS . 20.9 t -101.35 169.41 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 121.101 -0.24 . . . . 0.0 110.46 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.409 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 99.0 mttt -114.66 148.62 37.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.582 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.48 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 30.6 m -111.37 88.11 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.952 0.406 . . . . 0.0 110.729 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.9 pttt -109.4 163.19 13.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.88 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -64.99 -37.93 89.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.617 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.81 -25.73 61.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.126 -179.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -72.67 -39.11 67.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.827 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.482 ' O ' ' CB ' ' A' ' 35' ' ' PHE . 0.7 OUTLIER -63.59 -41.85 98.31 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.358 0.599 . . . . 0.0 110.309 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.9 mt -49.82 -56.5 10.16 Favored 'General case' 0 C--N 1.31 -1.124 0 C-N-CA 119.649 -0.82 . . . . 0.0 111.249 -178.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -74.27 -52.16 13.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.717 -178.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.469 ' CE1' ' OH ' ' A' ' 11' ' ' TYR . 14.3 t80 -59.37 -41.0 88.26 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -178.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.482 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 7.2 t80 -67.91 -46.65 70.97 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.793 178.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -71.85 -21.38 61.68 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.86 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -65.39 -57.76 7.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.828 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.54 ' O ' ' N ' ' A' ' 42' ' ' CYS . 2.5 m -71.18 -38.94 72.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.105 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -53.86 -34.93 60.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.605 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -41.44 -62.53 0.85 Allowed 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.916 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.453 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 12.9 p -114.67 2.13 14.39 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.198 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.54 ' N ' ' O ' ' A' ' 38' ' ' VAL . 11.1 p 36.02 62.45 2.74 Favored Pre-proline 0 N--CA 1.463 0.218 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.601 -178.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.559 ' C ' ' H ' ' A' ' 45' ' ' PHE . 6.8 Cg_exo -70.85 -15.26 33.03 Favored 'Trans proline' 0 C--N 1.309 -1.507 0 C-N-CA 122.987 2.458 . . . . 0.0 112.273 -179.269 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.731 ' HE1' H141 ' A' ' 1' ' ' MYR . 0.9 OUTLIER -70.11 22.6 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.212 0.53 . . . . 0.0 111.258 -179.183 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.559 ' H ' ' C ' ' A' ' 43' ' ' PRO . 2.4 m-85 52.76 91.39 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.183 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -73.59 -6.15 18.25 Favored 'Trans proline' 0 C--N 1.313 -1.301 0 C-N-CA 122.349 2.033 . . . . 0.0 112.416 -179.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -83.0 -57.0 3.47 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.222 -0.591 . . . . 0.0 110.971 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.471 ' OE2' ' O ' ' A' ' 101' ' ' ALA . 8.2 pt-20 -92.95 -17.57 23.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.817 179.055 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.44 ' O ' ' OE1' ' A' ' 98' ' ' GLN . . . 63.49 73.83 0.5 Allowed Glycine 0 CA--C 1.527 0.837 0 N-CA-C 110.328 -1.109 . . . . 0.0 110.328 -178.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.539 ' OG1' ' NE2' ' A' ' 98' ' ' GLN . 6.1 t -150.72 169.74 20.89 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.896 0.379 . . . . 0.0 110.938 -179.371 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.537 ' H ' ' HG1' ' A' ' 50' ' ' THR . 2.0 mt -87.53 151.36 3.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.071 179.311 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -140.35 122.13 15.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.821 0.344 . . . . 0.0 110.288 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.413 HG23 HD11 ' A' ' 53' ' ' ILE . 35.9 mm -70.21 -41.62 78.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.139 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -62.89 -54.37 39.65 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.13 0.491 . . . . 0.0 111.543 -178.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -66.01 -35.68 81.22 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.334 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 35.1 t-105 -55.79 -37.32 68.45 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 121.209 0.528 . . . . 0.0 110.579 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -68.21 -40.25 82.16 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.93 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.434 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 45.9 mtm-85 -60.06 -49.65 76.84 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.56 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.0 p -66.32 -43.11 91.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 CA-C-O 120.96 0.409 . . . . 0.0 110.41 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -60.58 -48.92 83.79 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 -179.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.444 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 63.7 t0 -70.46 -38.72 74.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.968 0.413 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.434 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 17.4 m -57.34 -43.47 83.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.695 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -75.97 -35.4 59.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.802 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -62.63 -47.64 82.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.796 -179.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -61.18 -50.88 71.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.728 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.472 ' O ' ' OG1' ' A' ' 69' ' ' THR . 3.7 m-85 -61.37 -44.64 96.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.954 0.407 . . . . 0.0 110.845 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -62.42 -37.51 86.12 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.477 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.409 ' O ' ' N ' ' A' ' 71' ' ' GLY . 93.3 m-20 -61.91 -39.8 93.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.406 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.472 ' OG1' ' O ' ' A' ' 66' ' ' TYR . 64.1 p -50.31 -29.56 10.07 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.578 -179.38 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -79.01 13.3 1.81 Allowed 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.692 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 40.34 58.32 2.47 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.216 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -78.36 131.08 10.41 Favored 'Trans proline' 0 C--N 1.309 -1.542 0 C-N-CA 122.806 2.337 . . . . 0.0 112.332 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -87.65 -34.15 18.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.121 0.486 . . . . 0.0 110.881 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 75' ' ' VAL . 49.5 mmtt -61.85 -46.6 88.75 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.071 -178.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.464 ' C ' ' O ' ' A' ' 74' ' ' LYS . 76.9 t 29.67 80.13 0.24 Allowed Pre-proline 0 N--CA 1.466 0.342 0 O-C-N 123.607 0.567 . . . . 0.0 111.115 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -56.01 125.83 20.37 Favored 'Trans proline' 0 C--N 1.311 -1.423 0 C-N-CA 121.872 1.715 . . . . 0.0 111.54 -178.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 79' ' ' ALA . 87.4 t -82.39 -19.11 10.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.887 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 67.4 p -42.08 -24.68 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.693 -179.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 77' ' ' VAL . . . -56.5 -22.97 36.3 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.78 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -68.48 -40.51 80.94 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.868 179.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 32.6 m -63.18 -41.59 99.23 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.915 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -58.41 -47.51 83.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.781 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 56.2 t-105 -56.22 -48.54 76.25 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.513 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -66.67 -40.17 88.46 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.746 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 61.1 tp -67.53 -65.28 0.71 Allowed 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 120.972 0.415 . . . . 0.0 111.037 -179.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -52.55 -31.93 16.27 Favored 'Isoleucine or valine' 0 C--O 1.241 0.631 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.204 -179.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 46.6 tttt -59.57 -41.79 91.02 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.278 -179.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.23 -19.15 34.43 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-O 120.809 0.338 . . . . 0.0 111.568 179.537 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.17 -46.51 90.22 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 119.887 -0.725 . . . . 0.0 110.124 -177.062 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 92' ' ' LYS . 16.2 mt -64.07 -42.19 94.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 C-N-CA 120.066 -0.653 . . . . 0.0 110.822 -179.272 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -41.4 -23.91 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.798 -177.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 90' ' ' ILE . 98.3 mttt -64.72 131.44 46.88 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.766 -0.373 . . . . 0.0 110.401 179.269 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -95.0 -9.6 33.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.525 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -95.02 24.29 4.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.488 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.434 ' O ' ' O ' ' A' ' 96' ' ' ASN . 98.7 t -60.46 146.68 10.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.455 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.618 HD22 ' CZ ' ' A' ' 10' ' ' ARG . 0.6 OUTLIER -39.42 162.5 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.918 -179.468 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.523 ' O ' ' N ' ' A' ' 99' ' ' VAL . 69.8 Cg_exo -40.53 -21.76 0.1 OUTLIER 'Trans proline' 0 C--N 1.312 -1.393 0 C-N-CA 122.708 2.272 . . . . 0.0 112.307 179.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.539 ' NE2' ' OG1' ' A' ' 50' ' ' THR . 0.0 OUTLIER -44.69 -16.11 0.02 OUTLIER 'General case' 0 C--O 1.22 -0.475 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.402 179.717 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.523 ' N ' ' O ' ' A' ' 97' ' ' PRO . 67.4 t -58.86 -45.93 91.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.51 -178.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 59.6 ttp -64.01 -41.04 97.6 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.964 0.411 . . . . 0.0 110.526 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.471 ' O ' ' OE2' ' A' ' 48' ' ' GLU . . . -78.63 -18.75 54.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.575 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 98' ' ' GLN . . . -71.68 -45.8 60.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.546 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 51.6 t -57.49 -41.08 78.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.102 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -50.27 -43.34 53.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.718 -179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.472 ' NE2' ' O ' ' A' ' 102' ' ' ALA . 96.2 mm-40 56.74 -94.98 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.478 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 70.7 p -123.58 10.8 9.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.777 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -135.7 143.12 45.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.407 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -66.53 125.4 25.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.18 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 40.3 pt -53.24 -30.66 17.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.45 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.438 ' C ' ' H ' ' A' ' 112' ' ' SER . 66.5 mt -63.42 -38.86 92.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.211 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -77.34 17.79 0.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.566 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.438 ' H ' ' C ' ' A' ' 110' ' ' LEU . 11.1 t -59.79 -45.79 91.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.92 0.39 . . . . 0.0 110.785 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -64.62 -150.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.341 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 39.5 t -61.64 -45.12 95.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.479 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.444 ' OE1' ' OE1' ' A' ' 119' ' ' GLU . 82.5 mt-30 -147.1 -163.32 1.73 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.415 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 38.6 p -68.71 173.12 5.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.303 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -67.59 -3.5 9.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.653 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 84.4 mt -85.18 4.02 36.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.32 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.444 ' OE1' ' OE1' ' A' ' 115' ' ' GLN . 47.8 tp10 -61.0 -43.62 98.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.44 -179.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 65.5 m80 -60.87 -40.72 94.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.502 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.458 ' CG ' ' N ' ' A' ' 122' ' ' HIS . 86.7 t60 -78.84 162.73 25.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.436 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.458 ' N ' ' CG ' ' A' ' 121' ' ' HIS . 49.8 m80 -117.23 143.22 46.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.446 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -107.87 142.75 37.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.328 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 60.8 m170 -106.75 121.52 44.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.459 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.527 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . 0.707 H142 ' CZ ' ' A' ' 11' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.419 ' C ' ' N ' ' A' ' 4' ' ' GLU . . . . . . . . 0 CA--C 1.525 0.701 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 5' ' ' LEU . 98.8 mm-40 -45.39 -20.64 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.95 0.405 . . . . 0.0 110.698 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.491 ' HB2' ' H22' ' A' ' 1' ' ' MYR . 80.0 mm-40 -42.63 -22.36 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.435 179.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 3' ' ' GLN . 32.7 tp -42.81 -33.15 0.71 Allowed 'General case' 0 C--O 1.238 0.486 0 CA-C-O 121.195 0.521 . . . . 0.0 110.418 -179.494 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.7 m -56.08 -35.62 67.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.209 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 4' ' ' GLU . 96.7 mm-40 -53.67 -45.03 70.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.307 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 -58.36 -48.13 81.58 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.777 0.323 . . . . 0.0 110.197 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.442 ' O ' ' OE2' ' A' ' 13' ' ' GLU . 79.1 tt0 -47.53 -34.42 7.59 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.194 0.521 . . . . 0.0 110.197 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 87.0 mtt-85 -79.31 -45.24 20.05 Favored 'General case' 0 C--O 1.217 -0.65 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.108 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.707 ' CZ ' H142 ' A' ' 1' ' ' MYR . 89.3 t80 -55.26 -44.85 75.97 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.146 -179.396 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.9 t -60.49 -52.84 56.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.737 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.532 ' OE2' ' N ' ' A' ' 13' ' ' GLU . 7.2 mp0 -67.0 -37.08 83.56 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.993 0.425 . . . . 0.0 111.057 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.541 ' O ' ' N ' ' A' ' 17' ' ' GLN . 71.0 tp60 -71.25 -74.01 0.16 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.284 -179.454 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.446 ' C ' ' O ' ' A' ' 14' ' ' GLN . 0.2 OUTLIER -37.61 -48.33 1.02 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.077 0.465 . . . . 0.0 110.147 -178.588 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.553 ' HZ3' ' CD1' ' A' ' 31' ' ' LEU . 65.8 mttt -61.23 -40.57 94.51 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.708 178.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.541 ' N ' ' O ' ' A' ' 14' ' ' GLN . 13.1 mm-40 -64.45 -57.51 9.06 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.278 0.561 . . . . 0.0 109.492 179.527 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.22 -14.45 1.15 Allowed 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.811 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.612 ' CD1' ' CZ ' ' A' ' 82' ' ' TYR . 3.2 mt -85.16 -50.26 7.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.425 178.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -43.57 -33.15 1.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.118 -179.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.3 t -61.01 -35.12 76.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.598 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 19' ' ' LEU . 61.1 mtp85 -72.34 -10.01 59.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.58 -179.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 106.65 29.93 4.51 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.8 t -106.18 168.34 2.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 121.128 -0.229 . . . . 0.0 110.409 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -115.68 138.01 51.52 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.381 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.524 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 14.4 m -110.03 91.63 1.8 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-O 121.44 0.638 . . . . 0.0 110.834 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.2 pttt -109.74 165.27 11.82 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.057 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -63.94 -36.76 85.0 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.18 0.515 . . . . 0.0 110.239 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.36 -24.35 63.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.647 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -72.03 -40.58 68.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.698 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.553 ' CD1' ' HZ3' ' A' ' 16' ' ' LYS . 2.3 mp -61.54 -39.34 90.72 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.001 0.429 . . . . 0.0 110.308 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 49.1 mt -56.06 -46.17 79.02 Favored 'General case' 0 C--N 1.31 -1.136 0 C-N-CA 120.055 -0.658 . . . . 0.0 110.962 -178.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.466 ' O ' ' CB ' ' A' ' 37' ' ' PHE . 88.2 tttt -80.55 -53.36 6.63 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -178.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.605 ' CZ ' ' CE1' ' A' ' 82' ' ' TYR . 0.9 OUTLIER -60.92 -37.96 84.08 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -178.323 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.474 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 6.9 t80 -72.38 -51.2 21.55 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.981 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -72.89 -20.21 61.13 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.449 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.466 ' CB ' ' O ' ' A' ' 33' ' ' LYS . 1.7 t80 -63.45 -61.32 2.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.044 -178.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.514 ' O ' ' N ' ' A' ' 42' ' ' CYS . 1.0 OUTLIER -68.15 -32.37 55.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.935 179.734 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -58.29 -36.48 73.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.616 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -41.58 -61.12 1.13 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.704 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.482 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 12.9 p -105.0 -6.77 19.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.752 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.514 ' N ' ' O ' ' A' ' 38' ' ' VAL . 19.5 p 38.9 57.61 5.71 Favored Pre-proline 0 C--N 1.332 -0.155 0 CA-C-O 121.072 0.463 . . . . 0.0 110.728 -179.307 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.533 ' C ' ' H ' ' A' ' 45' ' ' PHE . 65.3 Cg_endo -78.13 -17.14 13.62 Favored 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 122.559 2.173 . . . . 0.0 112.195 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.61 ' NE1' H141 ' A' ' 1' ' ' MYR . 0.2 OUTLIER -70.8 19.75 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.119 -179.503 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.533 ' H ' ' C ' ' A' ' 43' ' ' PRO . 2.9 m-85 54.28 85.05 0.2 Allowed Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.174 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -70.71 -8.73 24.28 Favored 'Trans proline' 0 C--N 1.31 -1.49 0 C-N-CA 122.746 2.297 . . . . 0.0 112.153 -178.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.518 ' O ' ' H41' ' A' ' 1' ' ' MYR . 86.2 mt-30 -81.21 -57.25 3.59 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.486 -0.486 . . . . 0.0 110.678 -179.359 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.693 ' O ' ' H52' ' A' ' 1' ' ' MYR . 9.0 pt-20 -92.52 -24.45 18.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.814 178.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.521 ' O ' ' H91' ' A' ' 1' ' ' MYR . . . 64.91 71.06 0.93 Allowed Glycine 0 CA--C 1.527 0.784 0 N-CA-C 110.259 -1.137 . . . . 0.0 110.259 -178.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.499 ' HG1' ' N ' ' A' ' 51' ' ' ILE . 13.5 t -131.61 169.95 15.42 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 120.804 0.335 . . . . 0.0 111.023 -179.371 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.499 ' N ' ' HG1' ' A' ' 50' ' ' THR . 1.1 mt -103.5 143.25 15.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.138 -179.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -137.79 121.0 16.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.097 0.475 . . . . 0.0 110.132 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.419 HD13 HG21 ' A' ' 53' ' ' ILE . 29.7 mm -70.89 -41.41 77.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.833 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -66.56 -51.86 51.94 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.081 -179.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 36.8 ttm-85 -62.07 -41.78 98.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.228 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 23.8 t-105 -52.63 -37.99 59.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.593 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -64.35 -41.89 96.52 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.327 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.474 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 94.0 mtt-85 -58.74 -53.44 58.34 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.987 -179.37 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.1 p -64.09 -38.26 81.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.408 179.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -61.87 -48.25 84.99 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -69.38 -36.99 77.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.888 0.375 . . . . 0.0 110.783 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.474 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 90.4 m -63.39 -36.23 83.02 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.686 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -83.16 -41.98 17.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.965 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -63.37 -39.55 94.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.386 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -66.54 -52.1 49.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.765 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.462 ' O ' ' OG1' ' A' ' 69' ' ' THR . 64.6 t80 -62.48 -42.1 99.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.595 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -68.73 -39.38 80.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.818 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.474 ' O ' ' N ' ' A' ' 71' ' ' GLY . 29.6 t30 -62.04 -40.68 96.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.196 -179.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' A' ' 66' ' ' TYR . 73.5 p -48.67 -20.5 0.47 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.821 -179.433 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -90.47 15.06 11.44 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.785 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 40.18 58.98 2.27 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.728 -0.949 . . . . 0.0 110.728 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.415 ' HD3' ' N ' ' A' ' 71' ' ' GLY . 56.7 Cg_endo -78.85 125.74 6.84 Favored 'Trans proline' 0 C--N 1.309 -1.545 0 C-N-CA 122.856 2.371 . . . . 0.0 112.287 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -85.94 -25.35 26.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.554 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.492 ' O ' ' C ' ' A' ' 75' ' ' VAL . 53.2 mmtt -67.04 -47.35 71.64 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.953 -179.166 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.492 ' C ' ' O ' ' A' ' 74' ' ' LYS . 98.5 t 26.89 82.73 0.18 Allowed Pre-proline 0 N--CA 1.463 0.179 0 O-C-N 123.889 0.743 . . . . 0.0 110.915 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -57.16 126.84 23.42 Favored 'Trans proline' 0 C--N 1.308 -1.596 0 C-N-CA 122.527 2.152 . . . . 0.0 111.494 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 43.9 t -81.63 -19.5 11.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.887 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 30.5 p -45.3 -31.41 1.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.179 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.76 -29.94 65.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.125 0.488 . . . . 0.0 110.712 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -73.44 -36.92 65.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.962 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.7 m -65.2 -39.74 93.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.488 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.612 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 6.5 m-85 -61.22 -50.89 71.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.59 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 33.7 t90 -56.27 -39.3 72.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.986 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -61.99 -54.89 35.3 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.229 -179.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 57.7 tp -63.56 -47.98 79.32 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.99 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -60.37 -40.4 83.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.517 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 49.2 tttt -52.93 -47.52 67.97 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.669 -178.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.12 -17.73 39.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.649 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 37.1 tp -60.23 -41.68 93.62 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.707 -176.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 37.1 mt -62.26 -42.49 95.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.408 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -57.75 -17.34 14.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.553 -179.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -62.88 130.96 47.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.423 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -64.26 -36.45 84.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.861 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 69.8 tt0 -69.13 55.85 0.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.499 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 35.8 m -68.54 140.71 18.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.345 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.11 159.14 30.6 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.63 -179.484 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.463 ' C ' ' N ' ' A' ' 99' ' ' VAL . 12.1 Cg_endo -54.72 -11.67 3.66 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 123.111 2.541 . . . . 0.0 112.144 179.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -46.94 -15.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.609 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.463 ' N ' ' C ' ' A' ' 97' ' ' PRO . 92.4 t -60.73 -47.34 93.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.722 -179.397 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 94.6 mtp -65.66 -40.13 92.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.786 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -79.11 -13.01 60.01 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.035 0.445 . . . . 0.0 110.79 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.435 ' CB ' ' OE2' ' A' ' 48' ' ' GLU . . . -91.88 -16.13 27.12 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.366 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.419 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 99.4 t -75.11 -0.93 2.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.8 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.13 -36.92 76.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.733 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -137.38 117.04 12.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.542 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 69.2 p -105.63 4.41 30.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.64 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -107.79 163.42 13.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.547 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -85.1 124.35 31.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.198 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 40.7 pt -52.08 -23.04 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.583 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 96.9 mt -63.68 -42.55 98.01 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.349 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -65.74 -33.39 75.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.504 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 73.7 m -57.95 -47.77 81.93 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.809 -179.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -61.79 -46.37 89.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.566 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 66.8 p -162.44 160.52 26.41 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.454 179.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -103.42 12.73 34.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.89 0.376 . . . . 0.0 110.545 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 72.5 p -66.27 -19.62 65.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.538 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -78.19 -79.2 0.13 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.805 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 38.3 mt -63.44 -40.21 96.53 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.82 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 55.06 90.42 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.302 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 54.6 t60 -132.83 143.31 49.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.419 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -118.71 148.62 42.57 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.421 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 61.3 m-70 -97.75 138.15 35.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.498 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -58.7 -47.0 86.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.617 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -113.63 122.28 46.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.521 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 71.6 t60 . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 118.093 -0.956 . . . . 0.0 110.548 179.847 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . 0.786 H143 ' CZ ' ' A' ' 11' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.691 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 5' ' ' LEU . 70.9 tp60 -58.58 -29.96 66.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.739 0.304 . . . . 0.0 110.382 -179.646 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.635 ' OE1' ' H51' ' A' ' 1' ' ' MYR . 97.3 mt-10 -43.86 -21.96 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.446 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 3' ' ' GLN . 51.0 tp -42.37 -33.65 0.68 Allowed 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.057 0.456 . . . . 0.0 110.378 -179.602 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.4 p -57.72 -32.01 66.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.207 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.633 ' OE1' ' H71' ' A' ' 1' ' ' MYR . 87.4 mt-30 -54.53 -41.72 70.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.093 179.549 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -63.45 -47.2 82.81 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.306 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -45.58 -34.13 3.19 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.547 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -76.53 -46.61 25.78 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.189 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.786 ' CZ ' H143 ' A' ' 1' ' ' MYR . 66.5 t80 -50.9 -45.14 60.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.482 -179.426 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.506 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 15.5 t -63.25 -46.65 95.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.827 0.346 . . . . 0.0 110.845 179.399 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -66.73 -39.58 88.04 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.696 -0.401 . . . . 0.0 110.364 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.522 ' O ' ' N ' ' A' ' 17' ' ' GLN . 72.0 tp60 -74.06 -73.28 0.23 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.391 -178.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 14' ' ' GLN . 0.2 OUTLIER -37.37 -51.37 1.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.662 -178.826 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.506 ' CG ' ' O ' ' A' ' 12' ' ' VAL . 5.2 mmpp? -60.33 -37.7 81.45 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.603 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.522 ' N ' ' O ' ' A' ' 14' ' ' GLN . 46.7 mt-30 -68.62 -57.09 6.24 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.33 179.304 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.69 -16.83 1.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.345 179.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.407 ' CD1' ' CZ ' ' A' ' 82' ' ' TYR . 10.3 mt -84.22 -51.73 6.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.1 178.594 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -46.1 -42.14 13.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.508 -179.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.468 ' C ' ' H ' ' A' ' 23' ' ' GLY . 1.7 t -66.19 -30.22 70.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.748 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.4 mmm-85 -75.63 15.81 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.468 ' H ' ' C ' ' A' ' 21' ' ' THR . . . 80.5 25.25 57.2 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.447 ' CG1' ' N ' ' A' ' 25' ' ' LYS . 26.3 t -106.31 169.93 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.719 0.295 . . . . 0.0 110.777 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.447 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 99.1 mttt -132.22 137.1 47.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.302 179.199 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.8 t -123.06 98.73 5.88 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.927 -179.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.535 ' HG2' ' H ' ' A' ' 28' ' ' TYR . 10.3 ttmt -91.33 164.46 13.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.227 178.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.535 ' H ' ' HG2' ' A' ' 27' ' ' LYS . 92.5 t80 -50.6 -45.55 57.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.722 0.296 . . . . 0.0 110.663 179.665 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.32 -21.52 66.31 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.556 178.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -66.85 -45.11 79.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.76 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.51 ' O ' ' HB2' ' A' ' 35' ' ' PHE . 5.5 mp -64.39 -40.83 96.58 Favored 'General case' 0 C--O 1.208 -1.083 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.974 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.3 mt -57.71 -44.52 85.99 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.768 -179.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -74.25 -51.83 14.15 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.03 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.465 ' CE2' ' CE1' ' A' ' 82' ' ' TYR . 44.6 t80 -62.7 -37.59 87.1 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.337 -178.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.51 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 2.8 t80 -71.6 -46.32 59.55 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.88 179.332 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -71.78 -21.24 61.75 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.107 0.48 . . . . 0.0 110.385 -179.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.67 -59.65 3.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.091 -179.317 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.542 ' O ' ' N ' ' A' ' 42' ' ' CYS . 2.9 m -69.81 -38.5 76.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.032 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -57.52 -31.44 66.06 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.439 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -44.74 -60.82 1.83 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.682 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 42' ' ' CYS . 19.5 p -112.15 -1.96 15.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.749 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.542 ' N ' ' O ' ' A' ' 38' ' ' VAL . 23.1 t 36.68 65.64 2.21 Favored Pre-proline 0 C--O 1.221 -0.422 0 CA-C-O 121.234 0.54 . . . . 0.0 110.669 -179.221 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.562 ' C ' ' H ' ' A' ' 45' ' ' PHE . 11.9 Cg_exo -68.44 -19.86 42.57 Favored 'Trans proline' 0 C--N 1.297 -2.183 0 C-N-CA 123.118 2.545 . . . . 0.0 112.141 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.714 ' NE1' H141 ' A' ' 1' ' ' MYR . 1.2 m-90 -70.68 22.81 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.77 -179.652 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.562 ' H ' ' C ' ' A' ' 43' ' ' PRO . 6.1 m-85 55.43 96.43 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.288 179.652 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -67.75 -7.84 20.67 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 123.003 2.469 . . . . 0.0 112.089 -178.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -85.74 -58.48 2.64 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.049 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.677 ' O ' ' H52' ' A' ' 1' ' ' MYR . 6.1 pt-20 -93.4 -22.22 19.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.948 179.611 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.636 ' O ' ' H72' ' A' ' 1' ' ' MYR . . . 59.48 75.8 0.25 Allowed Glycine 0 CA--C 1.527 0.786 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 -178.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.413 ' O ' ' CD1' ' A' ' 44' ' ' TRP . 12.4 t -139.77 169.09 18.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.814 0.34 . . . . 0.0 110.791 -179.337 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.4 mt -90.88 141.12 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.064 179.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -135.88 123.07 21.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.258 0.551 . . . . 0.0 110.614 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.465 HD11 HG21 ' A' ' 53' ' ' ILE . 40.3 mm -71.55 -39.92 70.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.919 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -66.51 -53.65 32.6 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.304 -178.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.545 ' NE ' ' CE2' ' A' ' 45' ' ' PHE . 93.4 mtt-85 -63.12 -34.79 78.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.701 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 35.5 t-105 -55.08 -38.87 68.64 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.2 0.524 . . . . 0.0 110.443 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -66.95 -38.98 87.13 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.312 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.508 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 23.7 mmt180 -59.81 -51.83 68.07 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -179.686 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.2 p -64.14 -42.45 95.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.475 179.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -60.38 -43.92 98.14 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -71.73 -35.99 70.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.71 0.29 . . . . 0.0 110.422 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.508 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 89.0 m -64.56 -39.4 93.68 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.721 -179.646 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -78.94 -43.19 25.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.042 179.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.742 HE21 HD22 ' A' ' 68' ' ' ASN . 50.3 tp60 -64.22 -37.92 89.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.335 -179.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -64.38 -52.6 57.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.712 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.475 ' O ' ' OG1' ' A' ' 69' ' ' THR . 6.3 m-85 -65.55 -39.03 91.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.724 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -65.96 -39.4 90.39 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.655 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.742 HD22 HE21 ' A' ' 64' ' ' GLN . 1.6 m120 -62.29 -42.07 99.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.086 -178.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.475 ' OG1' ' O ' ' A' ' 66' ' ' TYR . 81.2 p -48.4 -26.79 2.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.342 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -82.95 14.47 3.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.76 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 38.0 59.31 1.45 Allowed Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -78.02 130.12 10.15 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.851 2.367 . . . . 0.0 112.178 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -88.53 -27.03 21.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.632 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.518 ' O ' ' C ' ' A' ' 75' ' ' VAL . 9.8 mptt -67.31 -47.36 70.81 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 -178.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.518 ' C ' ' O ' ' A' ' 74' ' ' LYS . 94.8 t 27.16 78.7 0.24 Allowed Pre-proline 0 C--O 1.233 0.186 0 O-C-N 123.725 0.641 . . . . 0.0 110.812 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -55.66 125.75 20.14 Favored 'Trans proline' 0 C--N 1.308 -1.57 0 C-N-CA 122.534 2.156 . . . . 0.0 111.667 -179.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 92.6 t -81.99 -19.67 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.026 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 70.7 p -44.85 -26.36 0.4 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.407 -179.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.2 -24.0 51.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.683 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.411 ' CE1' ' ND2' ' A' ' 84' ' ' ASN . 40.1 t80 -67.05 -38.16 85.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 179.608 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 44.6 m -61.97 -39.69 93.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.843 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.465 ' CE1' ' CE2' ' A' ' 34' ' ' PHE . 30.4 m-85 -60.75 -48.57 81.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.743 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.42 ' CE3' ' OD1' ' A' ' 84' ' ' ASN . 37.2 t90 -56.17 -50.14 72.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.896 -179.582 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.42 ' OD1' ' CE3' ' A' ' 83' ' ' TRP . 89.1 m-20 -65.77 -40.69 92.29 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.347 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 63.4 tp -66.62 -64.78 0.78 Allowed 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.238 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -51.86 -34.71 17.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.1 0.476 . . . . 0.0 110.3 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 42.1 tttt -57.12 -43.55 82.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.671 -178.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.434 ' OE2' ' O ' ' A' ' 88' ' ' GLU . 0.5 OUTLIER -82.87 -20.02 36.34 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.657 -179.574 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.56 -45.62 93.23 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.189 -177.53 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 7.3 mt -62.24 -43.51 98.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.135 -179.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -55.65 -38.23 69.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.457 -179.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.443 ' C ' ' H ' ' A' ' 94' ' ' GLU . 66.9 mmtt -64.46 142.47 58.41 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.587 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -66.95 1.3 1.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.586 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.443 ' H ' ' C ' ' A' ' 92' ' ' LYS . 72.7 tt0 -73.02 55.87 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.492 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.2 m -100.88 135.41 37.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.342 -179.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.536 ' O ' ' N ' ' A' ' 98' ' ' GLN . 0.6 OUTLIER -76.27 160.39 77.95 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.199 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.526 ' C ' ' H ' ' A' ' 99' ' ' VAL . 54.6 Cg_exo -42.64 -13.99 0.04 OUTLIER 'Trans proline' 0 C--N 1.308 -1.599 0 C-N-CA 122.882 2.388 . . . . 0.0 112.15 179.193 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.536 ' N ' ' O ' ' A' ' 96' ' ' ASN . 4.7 pt20 -46.17 -13.11 0.02 OUTLIER 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.623 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.526 ' H ' ' C ' ' A' ' 97' ' ' PRO . 68.9 t -60.55 -46.37 95.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.531 -179.343 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 70.0 mtm -67.93 -41.32 82.74 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.97 0.414 . . . . 0.0 110.573 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.54 -14.33 59.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.591 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.458 ' CB ' ' OE2' ' A' ' 48' ' ' GLU . . . -91.22 -27.39 18.5 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.099 -179.643 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 45.2 t -59.38 -46.31 92.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.229 -179.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.31 -31.22 70.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.525 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -83.61 -107.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.632 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 27.8 m 40.47 83.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.535 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -54.36 147.66 13.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.451 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -85.57 117.44 24.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.275 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.464 ' O ' ' OG ' ' A' ' 112' ' ' SER . 38.6 pt -51.98 -24.01 4.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.554 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 96.7 mt -65.11 -42.22 94.18 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.414 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -66.12 -38.35 87.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.562 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.464 ' OG ' ' O ' ' A' ' 109' ' ' ILE . 79.9 p -60.48 -45.32 94.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.586 -179.461 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 43.2 t-20 -68.07 -41.51 81.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.587 179.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 54.0 p -162.41 139.85 8.27 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.551 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -90.62 28.72 1.44 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.417 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 72.9 p -62.17 -43.94 97.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.554 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -57.03 -50.29 73.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.497 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 95.5 mt -129.22 132.36 47.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.64 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 49.6 tp10 -107.31 123.07 47.79 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.378 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -72.9 145.32 46.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.688 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -100.08 131.83 45.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.472 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.577 ' HD1' ' CE1' ' A' ' 123' ' ' HIS . 54.3 t-80 -64.8 -43.17 94.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.502 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.577 ' CE1' ' HD1' ' A' ' 122' ' ' HIS . 80.9 m80 -104.18 114.9 29.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.569 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.422 ' O ' ' OXT' ' A' ' 125' ' ' HIS . 25.1 t-80 -84.59 127.76 34.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.623 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.519 ' O ' ' CG ' ' A' ' 125' ' ' HIS . 55.0 t-80 . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.499 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . 0.779 H121 ' CG ' ' A' ' 11' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.722 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -65.05 -25.37 67.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 0.0 110.585 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.644 ' OE2' ' H31' ' A' ' 1' ' ' MYR . 98.8 mt-10 -54.43 -20.32 7.29 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.535 179.278 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 35.1 tp -43.98 -34.77 1.81 Allowed 'General case' 0 C--O 1.242 0.672 0 CA-C-O 121.322 0.582 . . . . 0.0 110.52 -179.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.2 m -52.17 -33.63 41.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.101 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.416 ' HG2' ' H82' ' A' ' 1' ' ' MYR . 67.6 tp60 -53.38 -43.09 67.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.268 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.473 ' CE1' H111 ' A' ' 1' ' ' MYR . 77.7 m-70 -61.02 -48.76 80.28 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.259 179.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -49.46 -31.52 10.07 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-O 121.532 0.682 . . . . 0.0 110.626 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 76.3 mmt-85 -82.5 -48.78 10.65 Favored 'General case' 0 C--O 1.213 -0.845 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.024 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.779 ' CG ' H121 ' A' ' 1' ' ' MYR . 92.6 t80 -52.87 -42.05 64.88 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.946 0.403 . . . . 0.0 110.168 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.1 t -62.09 -51.4 72.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 C-N-CA 120.621 -0.431 . . . . 0.0 110.825 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -67.8 -38.36 83.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.628 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.581 ' O ' ' N ' ' A' ' 17' ' ' GLN . 66.3 tp60 -71.27 -73.3 0.18 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.637 -179.442 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' A' ' 14' ' ' GLN . 0.2 OUTLIER -37.29 -44.6 0.61 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.949 0.404 . . . . 0.0 110.159 -178.715 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.64 ' HZ2' ' CD1' ' A' ' 31' ' ' LEU . 75.4 mttt -62.12 -39.89 94.07 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.05 0.453 . . . . 0.0 110.942 178.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.581 ' N ' ' O ' ' A' ' 14' ' ' GLN . 61.5 mt-30 -64.39 -57.12 10.22 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.779 179.035 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.5 ' O ' ' CG2' ' A' ' 21' ' ' THR . . . -55.61 -15.49 2.99 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.419 0.628 . . . . 0.0 110.289 179.141 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 22' ' ' ARG . 8.8 mt -87.88 -53.11 4.92 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.307 178.378 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -41.19 -38.78 1.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.834 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.5 ' CG2' ' O ' ' A' ' 18' ' ' ALA . 0.6 OUTLIER -60.91 -34.84 75.29 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.74 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 19' ' ' LEU . 15.0 mmm180 -69.39 -9.51 53.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.728 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.09 29.52 4.54 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.1 t -106.98 167.05 3.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.532 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -110.56 147.55 33.96 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.346 179.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.518 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 16.4 m -129.02 85.88 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 121.392 0.615 . . . . 0.0 110.683 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.462 ' HD3' ' H ' ' A' ' 29' ' ' ALA . 11.0 tmtt? -109.84 165.41 11.72 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.945 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -53.97 -41.76 68.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 110.605 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.462 ' H ' ' HD3' ' A' ' 27' ' ' LYS . . . -57.26 -22.55 42.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.102 0.477 . . . . 0.0 110.598 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.444 ' HB3' ' HZ1' ' A' ' 16' ' ' LYS . 48.6 t0 -71.33 -40.79 70.51 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.615 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.64 ' CD1' ' HZ2' ' A' ' 16' ' ' LYS . 4.2 mp -64.73 -42.54 95.15 Favored 'General case' 0 C--O 1.211 -0.926 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.199 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.5 mt -58.14 -50.25 74.14 Favored 'General case' 0 C--N 1.317 -0.848 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.007 -178.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -74.15 -52.85 11.24 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.181 -178.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -61.01 -41.68 96.99 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.08 -177.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.498 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 6.4 t80 -72.96 -43.38 62.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.898 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.462 ' O ' ' OD1' ' A' ' 36' ' ' ASP . 65.7 t0 -68.79 -34.82 76.18 Favored 'General case' 0 N--CA 1.458 -0.066 0 CA-C-O 121.039 0.447 . . . . 0.0 110.65 -179.099 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -57.07 -50.65 72.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.004 -178.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.54 ' O ' ' N ' ' A' ' 42' ' ' CYS . 14.3 m -71.31 -41.5 74.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.975 179.557 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.405 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 86.7 tttt -60.41 -25.59 66.05 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.418 -179.563 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -55.51 -55.76 28.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.043 -178.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.3 p -113.05 -3.2 14.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.845 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.54 ' N ' ' O ' ' A' ' 38' ' ' VAL . 3.0 m 39.48 60.97 5.93 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.602 -179.124 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.458 ' C ' ' H ' ' A' ' 45' ' ' PHE . 58.8 Cg_endo -80.77 -12.69 12.13 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.901 2.401 . . . . 0.0 112.505 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.455 ' NE1' H141 ' A' ' 1' ' ' MYR . 0.3 OUTLIER -77.76 21.98 0.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.831 -179.199 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.463 ' CE2' ' NE ' ' A' ' 55' ' ' ARG . 4.8 m-85 54.16 82.24 0.25 Allowed Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.391 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -69.65 -5.56 16.42 Favored 'Trans proline' 0 C--N 1.31 -1.492 0 C-N-CA 122.836 2.358 . . . . 0.0 112.131 -178.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -83.18 -57.13 3.4 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.544 -179.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.712 ' O ' ' H52' ' A' ' 1' ' ' MYR . 7.8 pt-20 -91.85 -23.4 19.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.764 178.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.546 ' O ' ' H72' ' A' ' 1' ' ' MYR . . . 65.89 73.48 0.61 Allowed Glycine 0 CA--C 1.528 0.846 0 N-CA-C 110.656 -0.977 . . . . 0.0 110.656 -178.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.437 ' OG1' ' OE1' ' A' ' 98' ' ' GLN . 14.9 t -141.93 169.29 17.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.783 0.325 . . . . 0.0 110.768 -179.204 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.463 HG12 H143 ' A' ' 1' ' ' MYR . 1.2 mt -90.43 143.85 10.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.101 179.557 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -140.16 120.36 13.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.286 0.565 . . . . 0.0 110.252 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.444 HD11 HG23 ' A' ' 53' ' ' ILE . 31.0 mm -72.6 -40.69 62.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.085 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -63.01 -56.66 15.07 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.22 -178.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.463 ' NE ' ' CE2' ' A' ' 45' ' ' PHE . 94.9 mtt-85 -62.92 -34.51 77.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.727 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 25.4 t-105 -57.1 -36.05 70.15 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 121.103 0.478 . . . . 0.0 110.538 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 76.6 ttt-85 -68.02 -41.17 82.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.333 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.506 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 84.2 mtt85 -58.48 -50.8 72.42 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.353 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.2 p -64.19 -37.04 78.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.606 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -63.31 -45.71 94.5 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -71.12 -40.32 71.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.886 0.374 . . . . 0.0 110.631 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.506 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 89.1 m -60.52 -37.16 80.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.717 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -83.88 -38.85 20.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.973 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -63.37 -42.09 98.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.771 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.461 ' CG ' ' N ' ' A' ' 66' ' ' TYR . 0.6 OUTLIER -69.5 -44.53 70.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.672 -179.667 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.478 ' O ' ' OG1' ' A' ' 69' ' ' THR . 59.2 t80 -66.72 -43.72 83.5 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.668 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.404 ' CE2' ' CG ' ' A' ' 72' ' ' PRO . 62.6 t80 -67.1 -38.5 85.76 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.63 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.484 ' O ' ' N ' ' A' ' 71' ' ' GLY . 88.1 m-20 -61.57 -41.17 97.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.048 -178.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.478 ' OG1' ' O ' ' A' ' 66' ' ' TYR . 82.4 p -48.02 -24.22 1.02 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.813 -179.365 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -86.06 14.98 5.46 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.745 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 39.32 59.07 1.92 Allowed Glycine 0 CA--C 1.527 0.815 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.039 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.413 ' HD3' ' N ' ' A' ' 71' ' ' GLY . 58.1 Cg_endo -79.22 129.7 8.84 Favored 'Trans proline' 0 C--N 1.307 -1.649 0 C-N-CA 122.806 2.337 . . . . 0.0 112.336 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -88.57 -29.5 19.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.929 0.395 . . . . 0.0 110.48 179.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.509 ' O ' ' C ' ' A' ' 75' ' ' VAL . 48.8 mmtt -64.61 -46.49 82.4 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.856 -178.332 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.509 ' C ' ' O ' ' A' ' 74' ' ' LYS . 89.4 t 26.02 83.84 0.15 Allowed Pre-proline 0 CA--C 1.529 0.14 0 O-C-N 123.968 0.793 . . . . 0.0 110.779 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -55.5 125.57 19.58 Favored 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 122.372 2.048 . . . . 0.0 111.605 -179.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 93.0 t -82.71 -18.07 10.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.89 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 25.5 p -49.28 -25.43 2.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.194 -179.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.8 -27.01 48.99 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.009 0.433 . . . . 0.0 110.687 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.487 ' CE1' ' OD1' ' A' ' 84' ' ' ASN . 51.0 t80 -71.3 -34.09 70.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.99 179.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.0 t -68.62 -42.61 77.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.771 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.464 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 5.3 m-85 -57.98 -53.77 54.5 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.701 -179.286 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 42.0 t90 -58.3 -39.58 79.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.072 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.487 ' OD1' ' CE1' ' A' ' 80' ' ' PHE . 7.2 m120 -64.43 -46.85 81.4 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.32 -179.085 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 63.8 tp -68.75 -50.38 51.01 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.727 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -60.98 -38.36 79.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.291 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 64.7 tttt -54.52 -47.72 72.79 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.554 -178.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.44 -18.17 36.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.115 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 33.9 tp -60.13 -40.64 90.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.402 -176.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 41.5 mt -61.22 -42.42 93.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.459 -179.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -54.47 -40.3 68.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.342 -178.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.51 ' C ' ' H ' ' A' ' 94' ' ' GLU . 96.9 mttt -65.74 144.29 56.98 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.749 179.401 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -67.7 7.89 0.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.625 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.51 ' H ' ' C ' ' A' ' 92' ' ' LYS . 74.8 tt0 -72.33 54.68 0.32 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.387 -179.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.0 m -108.62 141.45 23.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.226 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.612 ' ND2' ' N ' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -83.8 171.16 11.99 Favored Pre-proline 0 N--CA 1.452 -0.35 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.83 -179.463 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.529 ' O ' ' N ' ' A' ' 99' ' ' VAL . 51.9 Cg_exo -49.17 -13.1 0.3 Allowed 'Trans proline' 0 C--N 1.31 -1.472 0 C-N-CA 122.876 2.384 . . . . 0.0 112.188 179.589 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.532 ' NE2' ' OD1' ' A' ' 96' ' ' ASN . 0.5 OUTLIER -45.9 -13.51 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.593 179.43 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.529 ' N ' ' O ' ' A' ' 97' ' ' PRO . 69.2 t -60.1 -49.34 84.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.686 -179.124 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 60.0 ttp -63.19 -44.79 94.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.645 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.62 -14.43 60.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.026 0.441 . . . . 0.0 110.757 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 98' ' ' GLN . . . -91.56 -27.73 18.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.202 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.1 t -59.93 -45.61 94.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.323 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.01 -37.65 74.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.561 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -65.99 -39.62 90.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.458 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 33.2 m -66.27 135.99 55.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.655 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -102.69 142.56 33.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.492 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 111' ' ' LYS . 99.5 mt-10 -68.51 119.39 12.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.48 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 46.1 pt -41.97 -26.7 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.702 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 108' ' ' GLU . 96.0 mt -63.83 -41.65 97.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.626 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 108' ' ' GLU . 88.9 tttt -62.45 -32.35 73.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.551 179.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 111' ' ' LYS . 20.8 t -39.23 -70.86 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.759 -179.549 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.408 ' N ' ' ND2' ' A' ' 113' ' ' ASN . 3.3 m120 -63.95 -50.63 67.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.779 -179.749 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 97.8 p -163.99 164.46 23.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.63 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.429 ' O ' ' O ' ' A' ' 118' ' ' LEU . 86.6 mt-30 -77.0 78.47 3.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.989 0.423 . . . . 0.0 110.614 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.7 m -64.07 -43.9 94.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.27 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -56.77 -49.84 74.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.604 -179.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.429 ' O ' ' O ' ' A' ' 115' ' ' GLN . 91.3 mt -117.47 127.4 53.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.657 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -107.18 122.18 45.99 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.372 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -122.27 148.92 44.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.574 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.451 ' O ' ' ND1' ' A' ' 125' ' ' HIS . 99.0 m-70 -135.64 144.84 46.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.583 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.425 ' O ' ' O ' ' A' ' 125' ' ' HIS . 93.3 m-70 -64.71 -43.99 91.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.48 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -60.19 -41.65 93.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.599 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -60.97 -42.46 98.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.659 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.466 ' O ' ' CG ' ' A' ' 125' ' ' HIS . 37.5 p-80 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.532 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . 0.712 H141 ' HE1' ' A' ' 44' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.439 ' C ' ' O1 ' ' A' ' 1' ' ' MYR . . . . . . . . 0 C--O 1.226 -0.358 0 N-CA-C 110.651 -0.98 . . . . 0.0 110.651 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -39.23 -52.49 1.95 Allowed 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.446 -177.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 5' ' ' LEU . 80.7 tt0 -85.91 -64.6 1.13 Allowed 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.706 178.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.47 ' CD1' ' N ' ' A' ' 6' ' ' SER . 1.9 tm? -39.17 -66.54 0.28 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.709 -176.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.514 ' OG ' ' O1 ' ' A' ' 1' ' ' MYR . 71.0 m -44.99 -39.14 5.29 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 120.159 -0.616 . . . . 0.0 110.444 -177.406 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.457 ' O ' ' CB ' ' A' ' 11' ' ' TYR . 31.5 tt0 -48.29 -60.88 2.31 Favored 'General case' 0 C--O 1.214 -0.788 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.836 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -54.26 -43.01 70.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.891 0.377 . . . . 0.0 111.223 -179.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -60.06 -63.35 1.33 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.431 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.712 HH22 ' H ' ' A' ' 96' ' ' ASN . 80.2 mtp180 -66.23 -43.37 86.79 Favored 'General case' 0 C--O 1.206 -1.185 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.71 -179.305 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.457 ' CB ' ' O ' ' A' ' 7' ' ' GLN . 48.0 t80 -55.38 -56.35 21.1 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.216 0.531 . . . . 0.0 110.726 -179.21 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.75 -51.97 66.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 C-N-CA 120.074 -0.65 . . . . 0.0 111.928 -179.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -69.51 -48.25 61.15 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -178.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.518 ' O ' ' N ' ' A' ' 17' ' ' GLN . 65.1 tp60 -68.59 -72.39 0.18 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.255 -178.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 14' ' ' GLN . 0.2 OUTLIER -38.04 -49.91 1.32 Allowed 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.877 -177.858 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -63.87 -39.09 93.38 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.019 -0.673 . . . . 0.0 111.285 178.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.518 ' N ' ' O ' ' A' ' 14' ' ' GLN . 46.1 mt-30 -66.53 -59.34 3.72 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-O 121.211 0.529 . . . . 0.0 110.287 179.68 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.513 ' O ' ' CG2' ' A' ' 21' ' ' THR . . . -44.11 -21.74 0.05 OUTLIER 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.809 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.521 ' O ' ' N ' ' A' ' 22' ' ' ARG . 7.3 mt -85.76 -45.12 11.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.468 177.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 17' ' ' GLN . 96.6 mttt -39.7 -41.94 1.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.816 -179.015 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.513 ' CG2' ' O ' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -59.11 -35.45 73.47 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.673 179.827 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 19' ' ' LEU . 43.0 mmt-85 -71.1 -6.95 43.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.341 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.13 32.35 6.47 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.9 t -105.37 161.13 5.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -118.52 162.95 17.51 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.377 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.498 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 10.3 m -124.38 106.02 16.18 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-O 121.36 0.6 . . . . 0.0 110.895 -179.583 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.2 pttt -110.31 168.01 9.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.563 0.697 . . . . 0.0 111.148 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -58.97 -39.89 83.11 Favored 'General case' 0 C--N 1.32 -0.714 0 O-C-N 121.692 -0.63 . . . . 0.0 109.967 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.53 -22.35 66.94 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.308 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -71.05 -41.48 70.7 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.566 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.462 ' O ' ' CB ' ' A' ' 35' ' ' PHE . 6.4 mp -64.2 -43.17 95.84 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.45 179.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 40.8 mt -55.85 -50.35 70.82 Favored 'General case' 0 C--N 1.314 -0.964 0 C-N-CA 119.404 -0.918 . . . . 0.0 111.04 -178.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -74.31 -53.18 10.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.544 -178.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.42 ' CE2' ' CE1' ' A' ' 11' ' ' TYR . 10.0 t80 -60.27 -40.39 90.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.992 0.425 . . . . 0.0 112.132 -178.207 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.462 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 5.9 t80 -70.0 -46.08 65.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.296 178.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -70.73 -21.29 62.56 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.795 -179.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -66.18 -59.68 3.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.815 -179.532 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.537 ' O ' ' N ' ' A' ' 42' ' ' CYS . 0.2 OUTLIER -68.23 -40.5 82.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.799 179.726 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -53.97 -33.94 58.34 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.761 -179.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -42.55 -64.07 0.67 Allowed 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.017 -179.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 61.1 p -116.04 3.22 13.57 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.168 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.537 ' N ' ' O ' ' A' ' 38' ' ' VAL . 15.9 m 38.78 63.35 4.21 Favored Pre-proline 0 C--O 1.223 -0.33 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.388 -178.591 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.588 ' C ' ' H ' ' A' ' 45' ' ' PHE . 22.0 Cg_exo -65.86 -20.38 58.36 Favored 'Trans proline' 0 C--N 1.307 -1.62 0 C-N-CA 122.808 2.339 . . . . 0.0 112.199 -179.327 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.712 ' HE1' H141 ' A' ' 1' ' ' MYR . 1.2 m-90 -70.3 26.55 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.309 0.576 . . . . 0.0 110.929 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.588 ' H ' ' C ' ' A' ' 43' ' ' PRO . 0.1 OUTLIER 63.1 98.44 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.053 -179.819 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -72.8 -5.84 17.92 Favored 'Trans proline' 0 C--N 1.311 -1.425 0 C-N-CA 122.317 2.011 . . . . 0.0 112.352 -178.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -83.68 -59.64 2.37 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.092 -0.643 . . . . 0.0 110.865 -179.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 54.3 tp10 -94.27 -36.67 11.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.123 178.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.12 65.7 1.27 Allowed Glycine 0 CA--C 1.529 0.918 0 N-CA-C 110.511 -1.036 . . . . 0.0 110.511 -177.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.449 ' O ' ' O ' ' A' ' 44' ' ' TRP . 10.2 t -138.87 169.7 17.32 Favored 'General case' 0 CA--C 1.523 -0.072 0 CA-C-O 120.963 0.411 . . . . 0.0 110.679 -179.53 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.4 mt -80.68 143.42 12.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.172 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -137.2 123.59 20.72 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.908 0.385 . . . . 0.0 110.508 179.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.414 HG23 HD11 ' A' ' 53' ' ' ILE . 37.5 mm -69.94 -41.61 79.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.62 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.448 ' CD ' HH11 ' A' ' 57' ' ' ARG . 70.8 mmtt -61.31 -56.14 23.8 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-O 121.441 0.639 . . . . 0.0 111.166 -179.095 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -64.01 -33.49 75.85 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.467 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 38.3 t-105 -56.93 -38.7 73.27 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 121.144 0.497 . . . . 0.0 110.519 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.448 HH11 ' CD ' ' A' ' 54' ' ' LYS . 88.6 mtm180 -66.18 -40.01 90.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.129 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.516 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 94.3 mtt180 -60.68 -51.72 68.18 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.351 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.7 p -64.0 -41.9 93.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.466 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -61.86 -47.12 92.24 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -71.12 -37.67 72.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.753 0.311 . . . . 0.0 110.716 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.516 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 91.3 m -66.12 -39.31 89.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.129 -179.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -82.73 -42.2 18.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.85 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -62.58 -44.44 96.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.687 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -63.58 -53.5 50.71 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.747 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.473 ' CD2' ' C ' ' A' ' 66' ' ' TYR . 16.7 t80 -61.35 -45.52 94.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.902 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.53 ' O ' ' N ' ' A' ' 71' ' ' GLY . 54.6 t80 -62.48 -45.63 92.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.761 -179.372 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 -64.21 -41.08 97.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.752 -179.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 67.9 p -64.82 -31.76 73.14 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.363 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -111.15 12.86 21.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.563 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.53 ' N ' ' O ' ' A' ' 67' ' ' TYR . . . -128.22 -161.46 10.72 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 -179.627 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -79.31 159.21 26.21 Favored 'Trans proline' 0 C--N 1.309 -1.517 0 C-N-CA 123.192 2.595 . . . . 0.0 112.201 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -71.54 -32.73 68.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.126 0.489 . . . . 0.0 110.774 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 75' ' ' VAL . 48.8 mmtt -62.5 -44.54 96.13 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.698 -178.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.414 ' O ' ' O ' ' A' ' 74' ' ' LYS . 20.3 t 60.29 131.82 0.02 OUTLIER Pre-proline 0 C--N 1.318 -0.765 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.115 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -50.97 126.76 19.59 Favored 'Trans proline' 0 N--CA 1.491 1.358 0 C-N-CA 121.896 1.73 . . . . 0.0 111.889 179.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 45.0 t -82.95 -24.08 8.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.576 179.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.3 p -47.71 -27.51 1.99 Allowed 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.088 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.18 -23.38 65.54 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.256 0.55 . . . . 0.0 111.232 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -66.46 -37.73 85.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.696 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 78.3 p -66.77 -34.24 77.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.615 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -59.6 -49.85 76.16 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.678 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.416 ' O ' ' CB ' ' A' ' 87' ' ' LYS . 45.0 t90 -59.24 -47.58 84.83 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.901 -179.525 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -62.49 -41.13 98.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.308 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 52.5 tp -69.38 -61.96 1.58 Allowed 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 120.734 -0.387 . . . . 0.0 110.911 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -54.87 -34.42 30.79 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 CA-C-O 121.161 0.505 . . . . 0.0 110.195 -179.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.416 ' CB ' ' O ' ' A' ' 83' ' ' TRP . 68.5 tttt -56.77 -47.87 79.14 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.849 -179.3 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.94 -18.03 33.79 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 121.023 0.44 . . . . 0.0 111.759 179.526 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 32.5 tp -58.26 -42.16 85.86 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.84 -175.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 26.2 mt -63.46 -43.43 98.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.255 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -52.97 -15.19 0.71 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -178.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 71.4 tttt -68.11 139.4 56.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.444 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -85.72 4.69 35.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.535 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -100.21 54.35 0.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.421 -178.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 21.4 t -114.24 129.47 70.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-O 120.957 0.408 . . . . 0.0 109.967 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.712 ' H ' HH22 ' A' ' 10' ' ' ARG . 0.9 OUTLIER -41.71 163.84 0.11 Allowed Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.698 -179.779 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.53 ' O ' ' N ' ' A' ' 99' ' ' VAL . 68.0 Cg_exo -42.47 -18.53 0.1 OUTLIER 'Trans proline' 0 C--N 1.313 -1.333 0 C-N-CA 122.654 2.236 . . . . 0.0 111.922 179.181 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.519 ' O ' ' N ' ' A' ' 102' ' ' ALA . 6.0 pt20 -46.23 -12.57 0.02 OUTLIER 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.546 179.417 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.53 ' N ' ' O ' ' A' ' 97' ' ' PRO . 79.3 t -59.57 -46.82 92.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.819 -179.396 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 97.0 mmm -67.03 -37.89 84.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.94 0.4 . . . . 0.0 110.875 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -83.72 -18.83 36.57 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.064 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.553 ' C ' ' H ' ' A' ' 104' ' ' ALA . . . -82.15 -48.32 11.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.863 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 39.4 t -44.78 -13.63 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.683 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.553 ' H ' ' C ' ' A' ' 102' ' ' ALA . . . -57.51 -28.38 63.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.348 179.429 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 41.65 -160.13 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.635 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.7 m -61.4 -45.72 93.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.357 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -127.54 155.84 43.16 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.683 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -71.35 122.17 19.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.187 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 36.4 pt -49.49 -26.39 2.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.463 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.58 -42.78 98.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.377 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 114' ' ' SER . 64.0 tttp -63.0 -47.25 83.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.472 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 111' ' ' LYS . 21.8 t 37.88 -123.52 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.588 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -65.36 -40.54 93.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.575 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.44 ' O ' ' O ' ' A' ' 111' ' ' LYS . 26.8 p -156.68 162.22 39.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.75 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -67.24 120.94 14.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.505 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 68.1 p -109.93 -50.92 2.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.552 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -64.15 -52.89 56.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.629 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 43.7 tp -64.96 -40.67 95.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.375 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 57.41 109.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.503 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -91.66 122.58 34.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.459 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.555 ' HD1' ' CE1' ' A' ' 123' ' ' HIS . 61.4 t-80 -145.89 140.91 27.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.525 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -113.69 130.49 56.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.443 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.555 ' CE1' ' HD1' ' A' ' 121' ' ' HIS . 74.3 m80 -110.3 128.1 55.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.56 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -110.13 143.98 39.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.458 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.48 ' ND1' ' OXT' ' A' ' 125' ' ' HIS . 59.1 t-80 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.577 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . 0.583 H122 ' CD1' ' A' ' 44' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.797 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.413 ' C ' ' N ' ' A' ' 5' ' ' LEU . 61.2 tt0 -57.32 -27.75 62.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.012 0.434 . . . . 0.0 110.566 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 66.1 tt0 -47.32 -19.88 0.18 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.445 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.413 ' N ' ' C ' ' A' ' 3' ' ' GLN . 58.3 tp -46.02 -33.43 3.4 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.419 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.5 p -54.98 -35.34 64.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.084 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.41 HE22 ' HD2' ' A' ' 97' ' ' PRO . 85.6 mt-30 -56.35 -39.34 72.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.265 179.481 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 63.7 t-80 -57.89 -49.35 77.03 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -49.8 -33.13 15.66 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.303 -0.559 . . . . 0.0 109.878 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -75.98 -49.22 18.29 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.248 178.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -52.11 -40.72 61.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.85 0.357 . . . . 0.0 110.26 -179.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.4 t -61.29 -51.49 72.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 120.331 -0.548 . . . . 0.0 110.845 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -67.74 -39.94 84.2 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.073 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.523 ' O ' ' N ' ' A' ' 17' ' ' GLN . 65.5 tp60 -69.51 -71.59 0.22 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.335 -179.412 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 14' ' ' GLN . 0.3 OUTLIER -38.51 -47.83 1.33 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.452 -179.12 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.571 ' HZ2' ' CD1' ' A' ' 31' ' ' LEU . 74.4 mttt -60.71 -41.71 95.76 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.596 178.67 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.523 ' N ' ' O ' ' A' ' 14' ' ' GLN . 63.0 mt-30 -62.38 -57.75 10.16 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 120.527 -0.469 . . . . 0.0 109.865 179.059 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.18 -16.49 1.23 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 121.071 0.462 . . . . 0.0 109.854 179.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.54 ' CD1' ' CZ ' ' A' ' 82' ' ' TYR . 3.2 mt -87.86 -50.66 6.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.55 178.273 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -41.51 -41.42 2.1 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.499 -178.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.0 -33.0 72.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.581 179.714 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 19' ' ' LEU . 73.1 mmt-85 -67.36 -6.78 20.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.462 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.97 22.63 8.22 Favored Glycine 0 N--CA 1.467 0.758 0 N-CA-C 111.274 -0.731 . . . . 0.0 111.274 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.418 ' CG1' ' H ' ' A' ' 25' ' ' LYS . 16.8 t -105.74 170.14 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.629 0.252 . . . . 0.0 110.687 -179.735 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.418 ' H ' ' CG1' ' A' ' 24' ' ' VAL . 98.5 mttt -112.63 150.9 30.77 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.61 179.451 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.505 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 15.4 m -127.95 88.12 1.18 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-O 121.196 0.522 . . . . 0.0 110.561 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.461 ' HG2' ' H ' ' A' ' 28' ' ' TYR . 17.0 ttmt -109.76 163.64 13.31 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.464 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.461 ' H ' ' HG2' ' A' ' 27' ' ' LYS . 97.2 m-85 -57.73 -36.09 71.59 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.029 0.442 . . . . 0.0 110.235 179.59 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.19 -23.17 62.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.749 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.502 ' CB ' ' HZ1' ' A' ' 16' ' ' LYS . 86.3 m-20 -71.01 -44.11 66.57 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.766 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.571 ' CD1' ' HZ2' ' A' ' 16' ' ' LYS . 4.6 mp -60.77 -41.3 95.24 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-O 120.935 0.398 . . . . 0.0 110.3 -179.31 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.1 mt -52.81 -53.87 42.29 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 119.705 -0.798 . . . . 0.0 111.123 -179.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 37' ' ' PHE . 89.0 tttt -71.84 -52.37 17.77 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -178.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.407 ' CZ ' ' CZ ' ' A' ' 82' ' ' TYR . 0.2 OUTLIER -61.71 -37.9 85.89 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -178.346 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.466 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 8.1 t80 -71.64 -48.15 49.75 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.14 179.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -77.19 -23.4 51.51 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.025 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.465 ' CB ' ' O ' ' A' ' 33' ' ' LYS . 14.9 t80 -62.66 -51.69 66.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.976 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.52 ' O ' ' N ' ' A' ' 42' ' ' CYS . 6.8 m -74.37 -33.01 32.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.568 179.464 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.511 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 80.2 tttt -57.81 -29.96 65.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.663 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -46.01 -58.45 3.57 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.735 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 78.0 p -114.95 -4.42 12.58 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.871 0.367 . . . . 0.0 111.01 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.52 ' N ' ' O ' ' A' ' 38' ' ' VAL . 3.3 m 42.41 65.7 4.84 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.799 -178.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.604 ' C ' ' H ' ' A' ' 45' ' ' PHE . 26.4 Cg_exo -63.47 -29.12 71.11 Favored 'Trans proline' 0 N--CA 1.497 1.722 0 C-N-CA 122.771 2.314 . . . . 0.0 112.126 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.583 ' CD1' H122 ' A' ' 1' ' ' MYR . 1.7 m-90 -66.94 24.63 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.029 -179.502 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.604 ' H ' ' C ' ' A' ' 43' ' ' PRO . 55.5 m-85 41.48 82.5 0.22 Allowed Pre-proline 0 N--CA 1.455 -0.207 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -54.52 -5.94 0.5 Allowed 'Trans proline' 0 N--CA 1.492 1.394 0 C-N-CA 122.109 1.873 . . . . 0.0 112.485 -178.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.458 ' H ' ' C ' ' A' ' 45' ' ' PHE . 93.0 mm-40 -83.07 -56.76 3.6 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.479 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.434 ' O ' ' H52' ' A' ' 1' ' ' MYR . 2.3 pt-20 -91.83 -23.66 19.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.57 178.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 61.36 77.26 0.2 Allowed Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.614 -0.995 . . . . 0.0 110.614 -179.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.535 ' HG1' ' N ' ' A' ' 51' ' ' ILE . 9.1 t -145.61 171.04 15.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.934 0.397 . . . . 0.0 111.066 -179.302 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.535 ' N ' ' HG1' ' A' ' 50' ' ' THR . 0.8 OUTLIER -98.71 140.76 17.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.81 179.386 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -133.88 122.72 23.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.896 0.379 . . . . 0.0 110.527 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.41 HD11 HG21 ' A' ' 53' ' ' ILE . 34.1 mm -69.71 -41.07 79.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.103 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -64.68 -51.94 59.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.047 0.451 . . . . 0.0 110.931 -179.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 31.2 ttt85 -67.99 -39.15 83.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.431 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 44.7 t-105 -56.36 -35.8 68.09 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.244 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 63.6 ttm-85 -67.75 -41.61 83.09 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.224 179.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.514 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 78.6 mtp85 -60.22 -50.2 74.6 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.389 -179.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.8 p -64.1 -40.52 89.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.832 0.349 . . . . 0.0 110.228 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -64.61 -53.18 36.76 Favored Glycine 0 CA--C 1.529 0.947 0 C-N-CA 121.145 -0.55 . . . . 0.0 111.845 -179.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.566 ' OD1' ' N ' ' A' ' 62' ' ' CYS . 14.4 p30 -68.23 -26.31 65.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.838 0.352 . . . . 0.0 110.827 -179.566 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.566 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 8.1 m -65.04 -40.9 95.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.287 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -81.62 -35.85 29.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.947 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -65.42 -43.36 90.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.551 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -63.34 -50.65 69.16 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.474 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.442 ' O ' ' OG1' ' A' ' 69' ' ' THR . 63.8 t80 -64.33 -41.06 96.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.713 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -67.29 -36.36 81.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 71' ' ' GLY . 1.2 m120 -62.91 -39.87 95.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.257 -179.381 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' A' ' 66' ' ' TYR . 68.1 p -50.05 -20.05 0.87 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.771 -179.437 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -89.58 14.4 11.64 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.523 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 40.38 58.69 2.41 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 -179.371 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -78.23 132.33 11.34 Favored 'Trans proline' 0 C--N 1.309 -1.505 0 C-N-CA 122.855 2.37 . . . . 0.0 112.491 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -87.0 -37.75 17.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.278 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.478 ' O ' ' C ' ' A' ' 75' ' ' VAL . 12.5 mptt -60.54 -45.8 92.53 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.325 -178.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.478 ' C ' ' O ' ' A' ' 74' ' ' LYS . 60.6 t 29.37 82.82 0.2 Allowed Pre-proline 0 N--CA 1.466 0.337 0 O-C-N 123.543 0.527 . . . . 0.0 111.011 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -54.07 125.85 20.14 Favored 'Trans proline' 0 C--N 1.311 -1.432 0 C-N-CA 121.681 1.587 . . . . 0.0 111.604 -179.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.5 t -82.78 -16.98 11.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.419 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.451 ' O ' ' OG ' ' A' ' 81' ' ' SER . 70.2 p -46.83 -30.86 2.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.987 0.422 . . . . 0.0 110.019 -179.176 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.97 -30.23 65.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.835 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -71.28 -37.15 71.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.064 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.451 ' OG ' ' O ' ' A' ' 78' ' ' THR . 78.1 p -66.02 -42.29 89.84 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.54 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 13.5 m-85 -61.16 -45.83 93.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.716 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 38.5 m0 -56.4 -47.59 78.68 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.968 -178.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -65.22 -42.05 93.81 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.864 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 55.7 tp -68.04 -63.14 1.12 Allowed 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.885 -179.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -50.34 -36.93 13.84 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.307 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 48.6 tttt -55.07 -46.12 75.4 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.895 -178.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.22 -19.33 43.44 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.988 -179.462 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.68 -44.7 96.18 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.75 -177.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.4 mt -62.79 -42.88 97.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 C-N-CA 119.963 -0.695 . . . . 0.0 109.709 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -43.55 -29.18 0.45 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.541 -178.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 32.7 tttp -63.84 132.43 50.82 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -80.97 -4.42 54.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.717 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -94.69 43.44 1.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.687 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.436 ' O ' ' O ' ' A' ' 96' ' ' ASN . 46.6 t -72.4 136.82 24.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 0.0 109.986 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.455 ' OD1' ' N ' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -39.83 164.27 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.116 -179.272 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.521 ' C ' ' H ' ' A' ' 99' ' ' VAL . 52.5 Cg_exo -45.75 -20.63 0.72 Allowed 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 122.813 2.342 . . . . 0.0 112.125 179.105 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 102' ' ' ALA . 2.9 pt20 -46.22 -13.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.531 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.521 ' H ' ' C ' ' A' ' 97' ' ' PRO . 68.3 t -58.81 -47.44 89.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.64 -0.255 . . . . 0.0 110.67 -179.027 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 95.1 mtp -64.98 -41.31 95.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.067 0.46 . . . . 0.0 110.516 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.1 -17.5 58.65 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.785 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 98' ' ' GLN . . . -89.31 -36.63 15.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.474 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.438 ' O ' ' O ' ' A' ' 106' ' ' THR . 24.3 t -57.68 -42.63 82.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.271 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.17 -30.4 26.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.348 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -53.98 -31.12 49.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.42 -179.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.438 ' O ' ' O ' ' A' ' 103' ' ' VAL . 47.1 p -133.46 158.44 43.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.661 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -94.51 149.08 21.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.467 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -75.25 121.47 22.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.057 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 38.9 pt -55.01 -29.71 22.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.403 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 56.3 mt -65.03 -34.89 79.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.396 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.482 ' O ' ' O ' ' A' ' 114' ' ' SER . 84.7 tttt -62.49 -6.48 3.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.297 0.57 . . . . 0.0 110.249 -179.482 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 14.2 t -61.6 -46.4 90.0 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.416 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.401 ' O ' ' OD1' ' A' ' 113' ' ' ASN . 47.9 t-20 -66.53 -42.5 87.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.943 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.482 ' O ' ' O ' ' A' ' 111' ' ' LYS . 3.2 m -160.24 -155.18 0.42 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.459 -179.63 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -68.2 -39.15 82.52 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 21.7 p -142.76 169.1 18.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.62 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.433 ' OD2' ' N ' ' A' ' 117' ' ' ASP . 19.6 p-10 -62.86 -43.38 98.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.211 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 10.9 mp -64.0 -42.47 97.15 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.675 179.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 54.49 67.38 1.02 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.237 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 16.7 t-80 -105.57 104.11 13.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.866 0.365 . . . . 0.0 110.142 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 56.8 t60 -81.28 128.97 34.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.402 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 72.2 m80 -78.66 130.39 35.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.421 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -62.7 -40.7 97.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.535 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -135.44 145.94 47.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.54 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.652 179.855 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . 0.693 H121 ' CD1' ' A' ' 11' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.588 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -65.58 -25.61 67.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.897 0.379 . . . . 0.0 110.426 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -51.03 -23.79 3.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.434 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.4 tp -44.01 -25.76 0.23 Allowed 'General case' 0 C--O 1.238 0.449 0 CA-C-O 121.204 0.526 . . . . 0.0 110.337 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.2 p -56.0 -33.3 64.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.279 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -56.12 -47.35 78.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.229 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.43 ' CE1' ' CE2' ' A' ' 35' ' ' PHE . 7.0 t-160 -57.25 -50.53 72.61 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.859 0.361 . . . . 0.0 110.059 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -46.23 -36.49 6.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.063 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 14' ' ' GLN . 58.3 ttt85 -76.88 -47.33 21.51 Favored 'General case' 0 C--O 1.21 -1.023 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.433 178.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.693 ' CD1' H121 ' A' ' 1' ' ' MYR . 70.6 t80 -54.59 -47.96 72.7 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.309 0.576 . . . . 0.0 110.502 -178.522 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.1 t -61.82 -53.9 41.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 C-N-CA 120.146 -0.621 . . . . 0.0 111.662 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -69.33 -45.12 70.25 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.082 0.468 . . . . 0.0 111.878 -179.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.584 ' O ' ' N ' ' A' ' 17' ' ' GLN . 61.6 tp60 -67.54 -73.68 0.13 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.745 -179.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.464 ' C ' ' O ' ' A' ' 14' ' ' GLN . 0.2 OUTLIER -37.26 -46.4 0.73 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -178.287 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.569 ' HZ2' ' CD1' ' A' ' 31' ' ' LEU . 63.8 mttt -60.78 -40.21 91.7 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.716 178.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.584 ' N ' ' O ' ' A' ' 14' ' ' GLN . 48.0 mm-40 -66.47 -58.65 4.81 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.113 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.33 -15.99 0.29 Allowed 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.095 179.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.465 ' CD1' ' CZ ' ' A' ' 82' ' ' TYR . 3.1 mt -85.07 -47.7 9.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.114 178.698 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -46.48 -34.67 4.97 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.478 -179.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.2 t -57.32 -33.47 67.75 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.429 179.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 92.6 mtt-85 -73.63 -13.75 61.05 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.532 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.02 30.49 3.92 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.402 ' CG1' ' N ' ' A' ' 25' ' ' LYS . 30.0 t -107.55 166.22 4.17 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 CA-C-O 120.789 0.328 . . . . 0.0 110.951 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.402 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 98.6 mttt -135.2 143.24 46.31 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 179.077 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.456 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 4.1 m -123.49 124.59 69.99 Favored 'Isoleucine or valine' 0 C--O 1.231 0.113 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.804 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.505 ' HD3' ' H ' ' A' ' 29' ' ' ALA . 10.8 tmtt? -110.43 166.4 11.02 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.344 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -50.7 -42.08 56.62 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 121.19 0.519 . . . . 0.0 110.397 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.505 ' H ' ' HD3' ' A' ' 27' ' ' LYS . . . -63.18 -17.96 62.96 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.193 178.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.408 ' CB ' ' O ' ' A' ' 27' ' ' LYS . 20.7 t0 -68.93 -45.44 70.81 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.49 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.569 ' CD1' ' HZ2' ' A' ' 16' ' ' LYS . 5.8 mp -64.85 -41.39 95.74 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.198 0.523 . . . . 0.0 109.829 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 45.1 mt -58.62 -50.8 72.51 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 119.728 -0.789 . . . . 0.0 111.045 -178.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -73.76 -52.59 12.67 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.433 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -58.99 -42.64 90.5 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -178.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.472 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 5.9 t80 -69.69 -43.1 73.15 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.798 179.46 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -73.43 -22.56 60.17 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.974 0.416 . . . . 0.0 110.787 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.69 -59.19 4.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.995 -179.472 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.536 ' O ' ' N ' ' A' ' 42' ' ' CYS . 2.6 m -66.02 -39.63 85.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.877 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -60.34 -25.43 65.81 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.817 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -54.89 -55.56 29.18 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.224 -179.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.7 p -114.18 -5.35 13.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.805 0.336 . . . . 0.0 110.81 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.556 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 1.5 m 45.18 57.21 15.22 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.365 -178.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.556 ' HD3' ' N ' ' A' ' 42' ' ' CYS . 18.4 Cg_exo -65.69 -39.9 19.21 Favored 'Trans proline' 0 C--N 1.308 -1.574 0 C-N-CA 122.408 2.072 . . . . 0.0 112.626 -178.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.683 ' CH2' ' CE3' ' A' ' 56' ' ' TRP . 0.5 OUTLIER -80.71 11.27 3.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.605 -179.587 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.581 ' C ' ' H ' ' A' ' 47' ' ' GLN . 3.1 m-85 42.16 51.93 6.56 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.097 -179.608 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 45' ' ' PHE . 6.7 Cg_endo -48.55 -4.7 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.665 0 C-N-CA 123.171 2.58 . . . . 0.0 111.944 179.608 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.581 ' H ' ' C ' ' A' ' 45' ' ' PHE . 87.0 mt-30 -55.16 -53.61 53.8 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.303 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.508 ' O ' ' H62' ' A' ' 1' ' ' MYR . 54.1 tp10 -92.56 -28.43 16.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.871 0.367 . . . . 0.0 110.404 178.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.599 ' CA ' ' H81' ' A' ' 1' ' ' MYR . . . 91.54 81.48 1.43 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 -178.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.409 ' HG1' ' H ' ' A' ' 51' ' ' ILE . 2.9 t -144.73 166.71 24.44 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 121.121 -0.231 . . . . 0.0 110.471 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.409 ' H ' ' HG1' ' A' ' 50' ' ' THR . 1.0 OUTLIER -110.97 139.52 34.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.182 179.887 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.56 ' H ' ' HE1' ' A' ' 44' ' ' TRP . 43.9 t0 -139.76 121.68 15.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.991 0.424 . . . . 0.0 110.442 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.434 HG23 HD12 ' A' ' 53' ' ' ILE . 33.2 mm -74.84 -40.18 46.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.36 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -63.58 -55.6 22.5 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.64 -178.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 85.4 mmt-85 -61.41 -34.27 75.1 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.265 -179.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.683 ' CE3' ' CH2' ' A' ' 44' ' ' TRP . 32.4 t-105 -57.65 -41.15 80.9 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.13 0.491 . . . . 0.0 110.578 -179.33 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 94.3 mtm-85 -64.99 -38.48 91.11 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.647 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.498 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 95.1 mtt180 -59.29 -49.12 79.03 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.117 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.5 p -70.32 -35.73 63.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.667 179.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -63.91 -44.92 95.35 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -73.08 -40.86 64.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.927 0.394 . . . . 0.0 110.65 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 93.9 m -61.32 -36.07 79.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.698 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -82.26 -41.54 20.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.499 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 52.9 tt0 -64.55 -41.04 96.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.471 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -64.24 -51.97 61.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.62 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.47 ' O ' ' OG1' ' A' ' 69' ' ' THR . 64.2 t80 -64.16 -42.66 96.65 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.096 0.474 . . . . 0.0 110.618 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.479 ' CZ ' ' CB ' ' A' ' 72' ' ' PRO . 51.4 t80 -66.09 -38.34 88.0 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.703 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 64' ' ' GLN . 1.2 m-80 -62.5 -41.13 98.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.177 -179.151 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.47 ' OG1' ' O ' ' A' ' 66' ' ' TYR . 81.3 p -48.55 -22.44 0.75 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.728 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -88.25 15.09 8.1 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.735 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 40.08 58.09 2.4 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.27 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.479 ' CB ' ' CZ ' ' A' ' 67' ' ' TYR . 66.4 Cg_endo -78.74 129.56 9.21 Favored 'Trans proline' 0 C--N 1.308 -1.576 0 C-N-CA 122.752 2.301 . . . . 0.0 112.358 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -88.31 -22.99 23.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.582 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.521 ' O ' ' C ' ' A' ' 75' ' ' VAL . 56.1 mmtt -66.32 -47.16 74.44 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.04 -179.044 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.521 ' C ' ' O ' ' A' ' 74' ' ' LYS . 58.7 t 20.62 79.75 0.16 Allowed Pre-proline 0 N--CA 1.464 0.256 0 O-C-N 124.185 0.928 . . . . 0.0 110.831 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -56.84 125.87 20.4 Favored 'Trans proline' 0 C--N 1.309 -1.536 0 C-N-CA 122.329 2.019 . . . . 0.0 111.768 -178.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.4 ' C ' ' N ' ' A' ' 79' ' ' ALA . 86.3 t -83.25 -17.05 11.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.964 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 81.1 p -47.71 -20.81 0.31 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.539 -179.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' A' ' 77' ' ' VAL . . . -57.55 -23.6 51.41 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.175 0.512 . . . . 0.0 110.684 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.584 ' CE1' ' ND2' ' A' ' 84' ' ' ASN . 74.1 t80 -69.86 -28.95 66.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.739 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 55.0 m -71.19 -37.81 72.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.505 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.465 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 8.5 m-85 -60.77 -49.29 78.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.557 ' N ' ' CD1' ' A' ' 83' ' ' TRP . 6.1 m0 -60.28 -44.72 95.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 -179.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.584 ' ND2' ' CE1' ' A' ' 80' ' ' PHE . 67.0 m-20 -64.14 -43.76 94.25 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-O 120.914 0.388 . . . . 0.0 111.616 -179.593 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 55.7 tp -67.32 -62.36 1.46 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 120.818 0.342 . . . . 0.0 110.968 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.5 mt -54.04 -36.78 32.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.306 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.435 ' CB ' ' O ' ' A' ' 83' ' ' TRP . 50.5 tttt -52.62 -46.2 66.92 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -178.618 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.77 -19.77 44.11 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.568 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.82 -47.47 83.27 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.55 -178.294 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.54 ' O ' ' N ' ' A' ' 92' ' ' LYS . 3.4 mt -63.66 -42.25 95.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.292 -179.336 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -42.39 -18.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.612 -178.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.54 ' N ' ' O ' ' A' ' 90' ' ' ILE . 97.1 mttt -73.03 143.87 47.35 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.742 178.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.439 ' C ' ' H ' ' A' ' 95' ' ' VAL . 99.4 mttt -86.33 -5.15 59.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.572 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -71.35 44.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.439 ' H ' ' C ' ' A' ' 93' ' ' LYS . 19.5 m -121.71 131.68 72.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.332 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.581 ' O ' ' N ' ' A' ' 98' ' ' GLN . 0.0 OUTLIER -105.05 165.93 12.33 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.671 -179.729 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.568 ' O ' ' N ' ' A' ' 99' ' ' VAL . 71.2 Cg_exo -38.85 -17.73 0.04 OUTLIER 'Trans proline' 0 C--N 1.313 -1.321 0 C-N-CA 122.964 2.442 . . . . 0.0 112.133 179.024 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.581 ' N ' ' O ' ' A' ' 96' ' ' ASN . 7.5 pt20 -40.48 -20.53 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.593 0.711 . . . . 0.0 109.827 -178.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.568 ' N ' ' O ' ' A' ' 97' ' ' PRO . 86.3 t -63.07 -45.26 99.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.309 178.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.417 ' N ' ' O ' ' A' ' 97' ' ' PRO . 78.1 mtm -69.56 -39.49 77.36 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.197 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.35 -21.05 61.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.501 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.512 ' O ' ' N ' ' A' ' 104' ' ' ALA . . . -83.53 -38.51 21.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.528 179.507 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.559 ' C ' ' H ' ' A' ' 105' ' ' GLN . 32.4 t -42.04 -20.48 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.525 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.515 ' O ' ' N ' ' A' ' 107' ' ' GLU . . . -51.74 -7.39 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.668 179.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.559 ' H ' ' C ' ' A' ' 103' ' ' VAL . 57.7 tt0 38.59 -93.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.47 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.51 ' N ' ' O ' ' A' ' 104' ' ' ALA . 20.8 p -116.69 -14.08 10.81 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.461 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' A' ' 104' ' ' ALA . 96.9 mt-10 -140.52 155.82 46.51 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.768 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 111' ' ' LYS . 91.5 mt-10 -77.56 124.24 27.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.201 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 40.1 pt -42.94 -27.6 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.503 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 96.4 mt -65.7 -41.41 92.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.448 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 108' ' ' GLU . 57.2 tttt -113.5 50.35 0.91 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.298 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 96.9 p -60.32 -21.38 61.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.689 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 -60.57 -42.74 97.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.462 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.7 t 176.64 147.78 0.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.678 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 57.59 -157.73 0.29 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.329 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.549 ' O ' ' N ' ' A' ' 118' ' ' LEU . 51.5 p -126.8 170.64 11.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.129 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -39.11 -23.32 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.679 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.549 ' N ' ' O ' ' A' ' 116' ' ' THR . 77.8 mt -106.83 127.76 53.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.2 179.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.474 ' OE2' ' N ' ' A' ' 119' ' ' GLU . 58.0 mp0 -70.28 -30.5 67.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.536 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -115.88 153.47 31.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.618 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -111.66 150.81 29.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.538 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -65.51 -42.45 92.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.693 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -58.34 -40.93 83.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.442 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -59.64 -44.15 93.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.671 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 84.0 t60 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.53 179.976 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 31.7 tp . . . . . 0 C--O 1.243 0.744 0 CA-C-O 121.559 0.695 . . . . 0.0 110.423 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.4 p -54.21 -27.52 34.92 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.932 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -57.87 -46.33 84.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.094 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -57.03 -49.31 76.22 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.115 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -49.24 -39.76 31.4 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.271 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 -75.23 -46.03 36.47 Favored 'General case' 0 C--O 1.216 -0.691 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.395 179.121 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.454 ' CE2' HD23 ' A' ' 15' ' ' LEU . 69.2 t80 -54.78 -45.3 74.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.042 0.449 . . . . 0.0 110.381 -179.054 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 30.8 t -61.0 -51.36 74.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 C-N-CA 120.186 -0.606 . . . . 0.0 111.058 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -68.56 -40.69 80.51 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.152 0.501 . . . . 0.0 111.281 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.527 ' O ' ' N ' ' A' ' 17' ' ' GLN . 65.5 tp60 -70.3 -72.41 0.2 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.413 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.516 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -37.89 -49.02 1.2 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 -178.581 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.597 ' HZ2' ' CD1' ' A' ' 31' ' ' LEU . 59.0 mttt -60.01 -41.01 91.21 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.052 -0.659 . . . . 0.0 111.106 179.132 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.527 ' N ' ' O ' ' A' ' 14' ' ' GLN . 46.5 mt-30 -65.97 -58.69 4.96 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-O 121.401 0.62 . . . . 0.0 109.962 179.215 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.667 ' O ' HG22 ' A' ' 21' ' ' THR . . . -52.54 -15.61 0.72 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.087 179.144 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.645 HD22 HG21 ' A' ' 24' ' ' VAL . 3.4 mt -83.97 -50.25 8.2 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.617 178.61 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -45.43 -31.73 1.84 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.035 -179.263 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.667 HG22 ' O ' ' A' ' 18' ' ' ALA . 2.1 t -60.41 -35.2 75.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.45 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 19' ' ' LEU . 61.0 mtp85 -72.82 -10.47 59.83 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.404 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 105.33 30.05 4.86 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.645 HG21 HD22 ' A' ' 19' ' ' LEU . 13.9 t -105.85 167.68 3.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 116.653 0.227 . . . . 0.0 110.46 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.547 ' N ' HG12 ' A' ' 24' ' ' VAL . 99.4 mttt -117.1 152.4 34.78 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.312 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.724 ' O ' HG23 ' A' ' 26' ' ' VAL . 12.8 m -126.64 102.22 9.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 CA-C-O 121.086 0.469 . . . . 0.0 110.741 -179.439 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.462 ' HG2' ' H ' ' A' ' 28' ' ' TYR . 16.6 ttmt -111.13 162.67 14.68 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.299 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.462 ' H ' ' HG2' ' A' ' 27' ' ' LYS . 90.5 m-85 -57.66 -43.13 84.75 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.253 0.549 . . . . 0.0 110.223 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.79 -20.97 25.27 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.26 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.424 ' HB3' ' HZ3' ' A' ' 16' ' ' LYS . 37.6 t0 -71.51 -41.43 69.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.917 179.658 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.597 ' CD1' ' HZ2' ' A' ' 16' ' ' LYS . 4.4 mp -64.45 -41.16 96.71 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.162 0.506 . . . . 0.0 110.272 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 34.2 mt -59.04 -47.46 85.15 Favored 'General case' 0 C--N 1.31 -1.13 0 C-N-CA 119.64 -0.824 . . . . 0.0 110.971 -178.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -78.16 -52.68 8.35 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.365 -178.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.525 ' O ' HG22 ' A' ' 38' ' ' VAL . 84.0 t80 -58.28 -40.63 82.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.964 0.411 . . . . 0.0 111.748 -178.639 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.431 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 4.4 t80 -72.16 -44.62 62.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.558 179.107 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -70.32 -25.14 63.17 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.914 0.388 . . . . 0.0 111.219 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -65.55 -59.9 3.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.788 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.525 HG22 ' O ' ' A' ' 34' ' ' PHE . 2.6 m -66.98 -40.35 85.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -55.0 -29.83 58.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.703 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -47.0 -62.48 1.39 Allowed 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.654 -0.419 . . . . 0.0 110.893 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.444 ' C ' ' SG ' ' A' ' 42' ' ' CYS . 16.5 p -115.07 5.09 14.83 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.117 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.519 ' N ' ' O ' ' A' ' 38' ' ' VAL . 0.8 OUTLIER 33.93 65.46 1.44 Allowed Pre-proline 0 N--CA 1.464 0.259 0 O-C-N 123.498 0.499 . . . . 0.0 110.314 -178.752 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.574 ' C ' ' H ' ' A' ' 45' ' ' PHE . 23.7 Cg_exo -63.9 -19.56 66.91 Favored 'Trans proline' 0 N--CA 1.494 1.543 0 C-N-CA 122.89 2.393 . . . . 0.0 112.077 -178.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.571 ' O ' ' N ' ' A' ' 50' ' ' THR . 1.2 m-90 -67.96 23.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.011 0.434 . . . . 0.0 110.914 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.574 ' H ' ' C ' ' A' ' 43' ' ' PRO . 0.1 OUTLIER 77.64 92.26 0.05 OUTLIER Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 -179.636 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -54.68 -18.52 15.95 Favored 'Trans proline' 0 C--N 1.304 -1.792 0 C-N-CA 122.355 2.037 . . . . 0.0 112.05 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -83.8 -59.89 2.28 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 119.991 -0.684 . . . . 0.0 111.567 -179.095 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.1 tp10 -94.16 -27.19 16.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.428 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 45' ' ' PHE . . . 74.02 33.1 57.81 Favored Glycine 0 CA--C 1.538 1.505 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 -178.4 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.571 ' N ' ' O ' ' A' ' 44' ' ' TRP . 10.9 t -94.09 172.77 8.02 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.013 0.435 . . . . 0.0 110.762 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.49 HG23 ' NE1' ' A' ' 44' ' ' TRP . 1.3 mt -83.8 138.71 18.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.298 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -136.81 122.13 19.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.887 0.375 . . . . 0.0 110.608 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 39.6 mm -71.36 -42.49 73.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.437 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -64.14 -51.44 63.91 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.481 0.658 . . . . 0.0 110.719 -179.307 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -64.99 -35.37 80.99 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.112 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 37.8 t-105 -55.01 -39.32 68.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.182 0.515 . . . . 0.0 110.288 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -66.03 -37.57 86.22 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.106 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.513 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 79.8 ttt-85 -59.3 -50.17 75.0 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.793 -179.44 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.2 p -67.83 -34.29 66.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.459 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -63.39 -50.8 59.64 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.296 -0.722 . . . . 0.0 111.296 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.561 ' OD1' ' N ' ' A' ' 62' ' ' CYS . 3.5 p30 -70.29 -35.11 73.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.75 0.309 . . . . 0.0 110.815 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.561 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 94.4 m -65.76 -38.61 89.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.846 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -79.65 -42.03 25.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.513 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 51.8 tp60 -65.51 -36.89 85.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.628 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.537 ' O ' HG23 ' A' ' 69' ' ' THR . 58.8 t0 -65.53 -55.21 19.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.676 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.478 ' O ' ' OG1' ' A' ' 69' ' ' THR . 7.8 m-85 -64.33 -40.12 95.26 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.093 0.473 . . . . 0.0 110.619 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.419 ' CD1' ' HG3' ' A' ' 72' ' ' PRO . 57.8 t80 -64.11 -41.01 97.41 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.648 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 61.4 m-20 -61.71 -40.75 96.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.207 -179.087 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.537 HG23 ' O ' ' A' ' 65' ' ' ASP . 71.7 p -50.96 -24.83 3.96 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.951 -0.299 . . . . 0.0 110.564 -179.67 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -85.39 13.6 6.46 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.627 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.408 ' N ' ' HD3' ' A' ' 72' ' ' PRO . . . 40.48 59.68 2.22 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.472 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.441 ' O ' HG23 ' A' ' 75' ' ' VAL . 55.3 Cg_endo -77.96 128.53 9.23 Favored 'Trans proline' 0 C--N 1.308 -1.585 0 C-N-CA 122.81 2.34 . . . . 0.0 111.933 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -87.92 -31.63 19.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.077 0.465 . . . . 0.0 110.9 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.485 ' O ' ' C ' ' A' ' 75' ' ' VAL . 53.0 mmtt -63.27 -46.65 85.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.365 -178.651 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.485 ' C ' ' O ' ' A' ' 74' ' ' LYS . 96.2 t 25.95 78.52 0.24 Allowed Pre-proline 0 N--CA 1.468 0.431 0 O-C-N 123.663 0.602 . . . . 0.0 111.081 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -55.7 125.82 20.39 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.003 1.802 . . . . 0.0 111.531 -178.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 98.6 t -82.13 -22.1 9.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.944 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 43.9 p -46.93 -26.97 1.11 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.356 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.67 -24.86 58.86 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.277 0.561 . . . . 0.0 110.949 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -64.91 -39.26 93.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.422 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.463 ' CB ' ' HE ' ' A' ' 22' ' ' ARG . 67.2 m -63.13 -38.97 93.29 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.886 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.513 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 5.8 m-85 -57.73 -50.59 72.73 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.691 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.432 ' CE3' ' OD1' ' A' ' 84' ' ' ASN . 36.5 t90 -59.43 -43.07 93.15 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.78 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.432 ' OD1' ' CE3' ' A' ' 83' ' ' TRP . 98.1 m-20 -64.65 -44.01 91.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.294 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 55.2 tp -68.36 -54.13 19.36 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-O 120.816 0.341 . . . . 0.0 110.552 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.1 mt -57.83 -39.6 71.88 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.308 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -51.23 -50.41 59.19 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.674 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.451 ' O ' ' OD1' ' A' ' 91' ' ' ASP . 0.4 OUTLIER -84.23 -17.11 40.87 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 179.879 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 21.7 tp -60.44 -41.03 93.19 Favored 'General case' 0 CA--C 1.51 -0.594 0 CA-C-O 121.072 0.463 . . . . 0.0 110.541 -176.049 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 92' ' ' LYS . 36.5 mt -61.45 -41.04 88.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.959 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.587 ' OD1' ' N ' ' A' ' 92' ' ' LYS . 0.5 OUTLIER -41.52 -25.01 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.591 -178.279 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.587 ' N ' ' OD1' ' A' ' 91' ' ' ASP . 97.5 mttt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.644 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 30.2 tp . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.798 0.333 . . . . 0.0 110.594 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.0 p -53.39 -34.0 55.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.596 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -54.67 -45.04 73.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.629 179.487 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.1 m80 -59.41 -49.78 76.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.545 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -43.94 -30.52 0.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.558 178.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -81.97 -41.71 20.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.632 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -54.46 -49.03 71.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.563 178.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.9 t -61.25 -53.6 46.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.556 -179.323 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -64.57 -40.47 95.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.563 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.6 ' O ' ' N ' ' A' ' 17' ' ' GLN . 71.6 tp60 -69.97 -74.12 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.605 -179.105 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.621 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -34.32 -46.86 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.562 179.837 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.541 ' HZ3' ' HG ' ' A' ' 31' ' ' LEU . 11.1 mtpt -62.75 -41.2 99.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.543 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.6 ' N ' ' O ' ' A' ' 14' ' ' GLN . 70.0 mt-30 -67.82 -58.19 5.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.548 178.052 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.702 ' O ' HG22 ' A' ' 21' ' ' THR . . . -50.4 -16.11 0.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.579 178.032 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.504 HD11 ' CZ ' ' A' ' 82' ' ' TYR . 5.2 mt -85.76 -48.96 8.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.59 179.147 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 66.8 tttm -43.79 -33.56 1.33 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.63 179.084 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.702 HG22 ' O ' ' A' ' 18' ' ' ALA . 4.3 t -61.43 -32.55 72.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.588 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 19' ' ' LEU . 94.5 mtt-85 -75.52 -9.31 58.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.5 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 105.86 29.71 4.84 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.513 HG12 ' H ' ' A' ' 25' ' ' LYS . 3.0 t -105.97 168.64 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.805 0.336 . . . . 0.0 110.542 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.513 ' H ' HG12 ' A' ' 24' ' ' VAL . 99.1 mttt -114.24 142.53 46.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.56 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.791 ' O ' HG23 ' A' ' 26' ' ' VAL . 21.6 m -115.97 90.72 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.572 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.469 ' HG2' ' H ' ' A' ' 28' ' ' TYR . 19.5 ttmt -109.37 164.85 12.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.546 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.469 ' H ' ' HG2' ' A' ' 27' ' ' LYS . 96.4 m-85 -64.19 -35.71 81.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.599 179.424 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.12 -21.81 65.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.553 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -74.88 -38.24 61.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.535 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.541 ' HG ' ' HZ3' ' A' ' 16' ' ' LYS . 1.7 mp -61.87 -42.11 98.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.534 179.374 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 43.2 mt -53.93 -55.39 27.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.611 -178.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 37' ' ' PHE . 88.3 tttt -74.62 -50.3 18.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.488 -178.394 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -58.75 -42.03 87.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.566 -177.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.517 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 8.2 t80 -72.17 -46.52 56.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.551 -177.355 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -77.28 -20.46 55.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.529 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.508 ' N ' ' O ' ' A' ' 33' ' ' LYS . 1.6 t80 -61.0 -52.06 66.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.583 -179.288 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.577 ' O ' ' N ' ' A' ' 42' ' ' CYS . 2.4 m -76.48 -35.01 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.525 -179.579 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -63.96 -31.55 72.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.598 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -52.12 -46.04 65.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.601 -179.335 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.51 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 15.7 p -113.7 -6.12 13.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.579 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.577 ' N ' ' O ' ' A' ' 38' ' ' VAL . 8.5 p 36.85 58.86 3.72 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.52 -179.607 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.469 ' HD3' ' N ' ' A' ' 42' ' ' CYS . 58.9 Cg_endo -80.15 -38.93 0.29 Allowed 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.764 2.31 . . . . 0.0 112.106 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.773 ' HE1' ' H ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -76.47 5.72 6.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.531 -179.447 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.501 ' O ' ' N ' ' A' ' 47' ' ' GLN . 28.9 m-85 55.4 53.04 8.49 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.55 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.46 ' CD ' ' N ' ' A' ' 45' ' ' PHE . 5.0 Cg_endo -47.45 -9.36 0.06 OUTLIER 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.806 2.337 . . . . 0.0 112.135 -178.636 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.501 ' N ' ' O ' ' A' ' 45' ' ' PHE . 94.6 mm-40 -62.99 -57.23 11.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.561 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -94.64 -13.54 25.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.547 178.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.99 91.28 0.05 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.1 t -139.55 168.66 19.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.838 0.351 . . . . 0.0 110.573 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -120.89 139.42 48.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.58 179.345 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.773 ' H ' ' HE1' ' A' ' 44' ' ' TRP . 51.6 t0 -144.4 121.52 11.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.594 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.4 mm -71.81 -42.22 69.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.537 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.67 -52.76 59.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.619 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 27.2 ttm-85 -63.15 -37.85 88.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.631 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.623 ' CE3' ' CH2' ' A' ' 44' ' ' TRP . 23.4 t-105 -55.39 -37.67 67.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.595 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 75.7 ttt-85 -65.56 -41.49 92.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.6 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.498 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 99.7 mtt180 -57.78 -53.03 62.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.567 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.4 ' H ' HG12 ' A' ' 59' ' ' VAL . 3.0 p -64.48 -39.16 84.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.559 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.02 -48.67 81.79 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -69.18 -35.18 76.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.807 0.336 . . . . 0.0 110.576 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 89.6 m -64.53 -37.32 87.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.562 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -82.0 -41.99 19.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.622 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -64.93 -40.11 94.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.585 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.662 ' O ' HG23 ' A' ' 69' ' ' THR . 61.2 t0 -61.75 -53.52 54.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.554 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.458 ' O ' ' OG1' ' A' ' 69' ' ' THR . 4.7 m-85 -67.25 -38.57 85.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.575 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.427 ' CD1' ' HG3' ' A' ' 72' ' ' PRO . 59.2 t80 -67.4 -39.81 85.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.553 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.419 ' O ' ' N ' ' A' ' 71' ' ' GLY . 62.2 m-20 -62.47 -40.31 96.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.604 -178.647 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.662 HG23 ' O ' ' A' ' 65' ' ' ASP . 77.4 p -50.88 -21.54 1.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.616 -178.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -89.57 14.69 10.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.548 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.433 ' N ' ' HD3' ' A' ' 72' ' ' PRO . . . 40.89 58.99 2.55 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.433 ' HD3' ' N ' ' A' ' 71' ' ' GLY . 56.8 Cg_endo -78.15 127.69 8.57 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.786 2.324 . . . . 0.0 112.107 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -88.61 -18.98 26.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.591 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.532 ' O ' ' C ' ' A' ' 75' ' ' VAL . 51.1 mmtt -73.23 -48.25 36.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.521 -179.074 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.532 ' C ' ' O ' ' A' ' 74' ' ' LYS . 89.6 t 28.71 79.23 0.25 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.481 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -55.24 123.94 15.05 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.797 2.331 . . . . 0.0 112.141 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 77.5 t -81.06 -17.14 12.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.595 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 69.3 p -45.72 -31.32 1.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.536 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.67 -30.33 63.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.549 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -68.94 -35.48 76.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.538 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.7 m -63.73 -40.55 97.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.554 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.504 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 19.8 m-85 -58.83 -48.91 79.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.536 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.501 ' C ' ' CD1' ' A' ' 83' ' ' TRP . 9.0 t-105 -55.61 -49.95 71.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.566 -178.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -64.43 -43.04 95.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.554 -178.333 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 64.6 tp -66.86 -67.51 0.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.585 -178.335 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -49.77 -35.1 9.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.513 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 45.8 tttt -53.54 -44.46 69.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.58 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.488 ' O ' ' OD2' ' A' ' 91' ' ' ASP . 0.6 OUTLIER -83.5 -18.98 36.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.583 -177.669 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.635 HD13 ' O ' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -64.58 -41.98 95.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.538 -178.592 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 6.3 mt -62.64 -45.11 99.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.548 -178.055 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.548 ' OD2' ' C ' ' A' ' 91' ' ' ASP . 17.9 p30 -78.27 -5.84 53.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.58 -178.791 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 83.7 tttt . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.578 179.888 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.7 tp . . . . . 0 C--O 1.243 0.719 0 CA-C-O 121.27 0.557 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.3 p -55.02 -33.36 62.56 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.899 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -56.28 -41.99 76.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.096 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -57.71 -49.93 74.89 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -49.9 -32.88 15.67 Favored 'General case' 0 C--O 1.243 0.752 0 CA-C-O 121.608 0.718 . . . . 0.0 109.965 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -80.29 -49.19 11.91 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.799 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.696 ' CE2' HD23 ' A' ' 15' ' ' LEU . 79.6 t80 -51.28 -41.76 60.65 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -179.601 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.7 t -59.9 -57.62 10.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.918 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.08 -41.41 97.32 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.784 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.599 ' O ' ' N ' ' A' ' 17' ' ' GLN . 68.1 tp60 -67.31 -74.9 0.1 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.637 -179.259 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.696 HD23 ' CE2' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -36.16 -44.94 0.42 Allowed 'General case' 0 C--O 1.233 0.223 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 -178.658 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -61.12 -42.93 99.43 Favored 'General case' 0 C--N 1.315 -0.892 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.889 178.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.599 ' N ' ' O ' ' A' ' 14' ' ' GLN . 67.6 mm-40 -65.0 -59.15 4.47 Favored 'General case' 0 C--O 1.239 0.548 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.693 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.689 ' O ' HG22 ' A' ' 21' ' ' THR . . . -49.58 -16.8 0.25 Allowed 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.833 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.658 HD22 HG21 ' A' ' 24' ' ' VAL . 3.4 mt -86.64 -48.39 8.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.675 178.67 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 66.7 tttm -42.76 -33.69 0.79 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.48 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.689 HG22 ' O ' ' A' ' 18' ' ' ALA . 6.5 t -63.48 -33.23 75.11 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.74 179.617 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 19' ' ' LEU . 16.9 mmm-85 -71.67 -11.39 60.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.434 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.56 25.52 5.97 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.658 HG21 HD22 ' A' ' 19' ' ' LEU . 16.7 t -104.43 169.49 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.612 0.244 . . . . 0.0 110.686 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.605 ' N ' HG12 ' A' ' 24' ' ' VAL . 82.0 tttt -111.81 154.17 25.5 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.379 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.773 ' O ' HG23 ' A' ' 26' ' ' VAL . 19.4 m -132.89 86.69 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 121.233 0.54 . . . . 0.0 110.727 -179.635 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.52 ' HD2' ' HB3' ' A' ' 29' ' ' ALA . 46.4 pttt -108.76 166.83 10.51 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.23 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.423 ' CE2' HD21 ' A' ' 32' ' ' LEU . 93.8 t80 -61.52 -40.25 93.95 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.011 0.434 . . . . 0.0 110.266 179.485 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.52 ' HB3' ' HD2' ' A' ' 27' ' ' LYS . . . -57.93 -23.34 53.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.69 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.467 ' HB2' ' O ' ' A' ' 27' ' ' LYS . 55.9 m-20 -72.86 -44.93 60.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.003 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.45 ' O ' ' CB ' ' A' ' 35' ' ' PHE . 3.3 mp -57.82 -42.63 84.71 Favored 'General case' 0 C--O 1.214 -0.782 0 C-N-CA 120.658 -0.417 . . . . 0.0 109.957 -179.23 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.423 HD21 ' CE2' ' A' ' 28' ' ' TYR . 43.9 mt -49.7 -58.21 5.76 Favored 'General case' 0 C--N 1.31 -1.145 0 C-N-CA 119.925 -0.71 . . . . 0.0 111.389 -179.52 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 37' ' ' PHE . 87.5 tttt -69.23 -54.36 15.14 Favored 'General case' 0 C--O 1.219 -0.526 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.866 -179.053 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.55 ' O ' HG22 ' A' ' 38' ' ' VAL . 0.7 OUTLIER -57.82 -40.98 81.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.052 0.453 . . . . 0.0 112.051 -178.393 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.45 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 9.3 t80 -70.64 -48.36 55.39 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.638 -179.516 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -75.49 -19.46 59.38 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.25 0.547 . . . . 0.0 110.679 -179.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 33' ' ' LYS . 11.7 t80 -65.89 -56.12 13.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.26 -178.528 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 34' ' ' PHE . 2.7 m -73.23 -32.32 37.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.895 179.554 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.483 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 86.3 tttt -60.15 -31.29 69.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.445 -179.266 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -43.06 -60.18 1.74 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.715 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 59.4 p -114.8 1.59 14.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.49 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 12.7 m 38.07 62.32 4.12 Favored Pre-proline 0 C--N 1.333 -0.148 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.648 -178.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.617 ' C ' ' H ' ' A' ' 45' ' ' PHE . 38.2 Cg_exo -60.79 -22.16 72.63 Favored 'Trans proline' 0 C--N 1.309 -1.522 0 C-N-CA 122.801 2.334 . . . . 0.0 112.087 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.499 ' CE2' HG23 ' A' ' 51' ' ' ILE . 1.2 m-90 -65.73 25.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.117 0.484 . . . . 0.0 110.853 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.617 ' H ' ' C ' ' A' ' 43' ' ' PRO . 0.3 OUTLIER 62.48 97.02 0.04 OUTLIER Pre-proline 0 N--CA 1.445 -0.699 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 179.873 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -68.75 -7.13 19.7 Favored 'Trans proline' 0 N--CA 1.495 1.575 0 C-N-CA 122.596 2.197 . . . . 0.0 112.545 -177.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -84.62 -60.33 2.1 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.938 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -94.73 -21.21 18.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.241 179.011 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.61 64.66 3.19 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 -178.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.3 t -132.05 171.89 13.05 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.943 0.401 . . . . 0.0 110.939 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.499 HG23 ' CE2' ' A' ' 44' ' ' TRP . 1.1 mt -84.37 138.59 18.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.159 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.424 ' OD2' ' C ' ' A' ' 52' ' ' ASP . 56.0 t0 -138.07 123.16 19.15 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.317 0.579 . . . . 0.0 110.565 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.5 mm -72.68 -40.06 61.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.202 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -62.71 -55.3 28.05 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.094 -178.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -64.56 -33.72 76.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.54 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 34.4 t-105 -57.42 -40.07 77.57 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.312 0.577 . . . . 0.0 110.573 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -66.49 -37.45 85.11 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.281 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.502 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 58.8 ttt85 -61.0 -50.06 74.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.018 -179.579 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.405 HG13 ' N ' ' A' ' 60' ' ' GLY . 3.1 p -65.48 -41.41 90.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.719 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.405 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -63.08 -48.88 76.42 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -68.01 -37.48 81.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.889 0.376 . . . . 0.0 110.624 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 65.8 m -63.38 -38.25 90.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -81.84 -41.34 21.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.924 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 61.9 tp60 -66.15 -38.29 87.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.584 -179.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.467 ' O ' HG23 ' A' ' 69' ' ' THR . 24.7 t0 -66.31 -50.97 61.82 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.604 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.438 ' O ' ' OG1' ' A' ' 69' ' ' THR . 58.0 t80 -66.33 -38.5 87.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.6 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.416 ' CE1' ' CG ' ' A' ' 72' ' ' PRO . 56.3 t80 -67.48 -37.58 83.09 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.606 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.492 ' O ' ' N ' ' A' ' 71' ' ' GLY . 90.5 m-20 -61.74 -40.75 96.18 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.082 -178.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.467 HG23 ' O ' ' A' ' 65' ' ' ASP . 80.9 p -47.61 -21.26 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.33 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -90.27 15.79 9.82 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.713 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 38.91 59.07 1.77 Allowed Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.766 -0.933 . . . . 0.0 110.766 -178.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.496 ' O ' HG23 ' A' ' 75' ' ' VAL . 59.7 Cg_endo -79.54 128.72 8.01 Favored 'Trans proline' 0 C--N 1.308 -1.602 0 C-N-CA 122.739 2.293 . . . . 0.0 112.443 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -87.87 -24.54 23.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.709 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.499 ' O ' ' C ' ' A' ' 75' ' ' VAL . 53.9 mmtt -66.24 -47.55 73.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.696 -178.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.499 ' C ' ' O ' ' A' ' 74' ' ' LYS . 74.0 t 27.48 80.29 0.22 Allowed Pre-proline 0 N--CA 1.463 0.205 0 O-C-N 123.944 0.777 . . . . 0.0 110.662 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.47 125.14 17.95 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.332 2.021 . . . . 0.0 111.516 -179.087 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.0 t -80.82 -20.76 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.8 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 65.5 p -45.62 -29.85 1.34 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.098 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.36 -33.01 70.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.076 0.465 . . . . 0.0 110.697 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -72.82 -35.1 67.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.244 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 69.1 p -68.95 -39.74 79.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.717 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.582 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 2.9 m-85 -61.38 -46.28 90.85 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.626 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 29.4 t90 -58.36 -44.21 88.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.126 -179.587 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -63.19 -44.93 93.98 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.273 -179.181 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.4 HD23 HD11 ' A' ' 15' ' ' LEU . 60.0 tp -68.17 -48.46 65.24 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-O 121.173 0.511 . . . . 0.0 110.841 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -62.41 -38.28 80.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.182 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 35.6 tttt -53.61 -45.63 70.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.788 -178.69 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.29 -19.09 47.48 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.236 -179.338 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.609 HD13 ' O ' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -61.75 -42.85 99.5 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.402 -177.769 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.7 mt -61.53 -42.95 95.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.227 -179.201 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -64.97 -10.06 26.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.429 -178.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 72.0 tttt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.611 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.6 tp . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.729 0.3 . . . . 0.0 110.583 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.6 p -51.74 -33.64 35.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.555 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -53.82 -46.49 71.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.581 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -54.51 -49.29 70.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.537 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -47.73 -34.65 8.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.555 178.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 41.6 mtm180 -81.54 -45.41 15.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.564 179.124 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.764 ' CE1' HD23 ' A' ' 15' ' ' LEU . 85.6 t80 -52.51 -43.85 65.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.647 179.032 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.46 HG13 ' NZ ' ' A' ' 16' ' ' LYS . 11.5 t -60.07 -54.79 29.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.563 -179.357 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -65.38 -36.33 83.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.583 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.585 ' O ' ' N ' ' A' ' 17' ' ' GLN . 66.9 tp60 -72.78 -73.29 0.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.58 -179.524 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.764 HD23 ' CE1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -34.5 -46.69 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.594 179.796 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.46 ' NZ ' HG13 ' A' ' 12' ' ' VAL . 54.5 mttp -62.92 -41.63 99.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.527 179.654 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.585 ' N ' ' O ' ' A' ' 14' ' ' GLN . 66.4 mt-30 -65.98 -57.4 7.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.549 177.7 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.747 ' O ' HG22 ' A' ' 21' ' ' THR . . . -52.77 -15.74 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.558 178.015 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.529 HD22 HG21 ' A' ' 24' ' ' VAL . 5.4 mt -86.92 -48.85 7.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.547 179.185 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -44.49 -34.47 2.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.571 179.105 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.747 HG22 ' O ' ' A' ' 18' ' ' ALA . 6.5 t -63.91 -29.38 70.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.518 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 19' ' ' LEU . 26.5 mmt-85 -77.22 -8.37 57.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.578 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 106.76 23.62 7.06 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.577 HG12 ' H ' ' A' ' 25' ' ' LYS . 5.7 t -102.01 169.91 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.731 0.301 . . . . 0.0 110.621 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.577 ' H ' HG12 ' A' ' 24' ' ' VAL . 61.4 mttp -114.38 144.18 43.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.544 178.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.798 ' O ' HG23 ' A' ' 26' ' ' VAL . 18.1 m -117.73 88.43 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.572 -179.481 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.514 ' HG2' ' H ' ' A' ' 28' ' ' TYR . 15.6 ttmt -109.35 165.36 11.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.572 179.469 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.514 ' H ' ' HG2' ' A' ' 27' ' ' LYS . 93.5 m-85 -56.93 -41.4 78.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.574 179.268 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.84 -20.71 6.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.579 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.428 ' HB2' ' O ' ' A' ' 27' ' ' LYS . 76.5 m-20 -72.75 -41.13 65.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.586 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.531 ' O ' ' CB ' ' A' ' 35' ' ' PHE . 4.0 mp -63.99 -41.55 97.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.553 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.2 mt -55.92 -53.78 52.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.522 -178.508 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 37' ' ' PHE . 87.8 tttt -77.64 -49.55 14.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.575 -177.398 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -60.18 -39.92 88.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.582 -177.398 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.531 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 11.2 t80 -74.45 -47.31 34.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.496 -177.551 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -75.8 -19.87 58.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.629 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.465 ' N ' ' O ' ' A' ' 33' ' ' LYS . 3.0 t80 -60.63 -52.07 66.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.586 -179.341 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.549 ' O ' ' N ' ' A' ' 42' ' ' CYS . 0.3 OUTLIER -77.89 -35.0 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.55 179.796 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 40' ' ' ASP . 75.6 tttt -54.19 -36.58 63.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.601 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 39' ' ' LYS . 66.6 t0 -39.49 -60.42 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.543 -179.372 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 42' ' ' CYS . 2.2 p -111.15 -6.5 14.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.509 -179.612 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.607 ' SG ' ' O ' ' A' ' 42' ' ' CYS . 16.8 p 36.45 60.31 3.34 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.571 -178.796 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.525 ' C ' ' H ' ' A' ' 45' ' ' PHE . 55.2 Cg_endo -79.94 -8.04 14.36 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.905 2.403 . . . . 0.0 112.112 -179.131 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -71.86 20.61 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.501 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.576 ' O ' ' N ' ' A' ' 49' ' ' GLY . 2.4 m-85 56.05 82.08 0.25 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.619 179.332 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -49.41 -24.32 8.63 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.846 2.364 . . . . 0.0 112.102 -177.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -84.39 -51.84 6.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.567 -178.345 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.417 ' HB3' HG22 ' A' ' 50' ' ' THR . 0.5 OUTLIER -88.45 -12.24 43.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.596 -178.683 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.576 ' N ' ' O ' ' A' ' 45' ' ' PHE . . . 39.59 28.74 0.13 Allowed Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -178.388 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.417 HG22 ' HB3' ' A' ' 48' ' ' GLU . 8.8 t -91.0 169.85 10.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.775 0.322 . . . . 0.0 110.56 -179.043 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.465 ' HB ' HD11 ' A' ' 90' ' ' ILE . 0.9 OUTLIER -101.61 141.16 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.611 178.159 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -135.16 123.68 23.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.522 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.8 mm -72.03 -40.74 67.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.534 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -61.9 -59.58 4.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.531 -178.561 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -62.69 -31.03 71.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.601 -179.008 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 23.9 t-105 -58.59 -40.76 84.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.524 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 90.5 mtm180 -66.79 -33.39 75.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.59 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.526 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 78.4 ttt-85 -62.33 -53.4 55.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.522 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 p -64.47 -40.51 89.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.602 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -60.67 -48.77 84.58 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -71.0 -39.11 72.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.744 0.306 . . . . 0.0 110.525 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.526 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 97.3 m -63.42 -37.62 87.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.543 -178.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -82.37 -42.41 18.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.522 -179.113 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -65.41 -36.84 85.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.592 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.796 ' O ' HG23 ' A' ' 69' ' ' THR . 14.7 t70 -64.67 -54.39 32.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.552 -179.559 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.414 ' O ' ' OG1' ' A' ' 69' ' ' THR . 22.9 m-85 -69.21 -41.28 77.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.535 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.462 ' O ' ' N ' ' A' ' 71' ' ' GLY . 51.6 t80 -62.07 -46.75 87.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.518 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 61.4 t-20 -64.43 -38.94 92.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.584 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.796 HG23 ' O ' ' A' ' 65' ' ' ASP . 39.9 p -63.58 -32.94 74.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.621 -179.485 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -110.97 11.43 22.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.601 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 67' ' ' TYR . . . -130.94 -156.82 8.68 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -79.82 159.35 24.6 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.817 2.345 . . . . 0.0 112.117 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -80.79 -26.19 37.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.557 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.469 ' O ' ' O ' ' A' ' 75' ' ' VAL . 21.9 mtpt -62.3 -46.98 86.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.55 179.595 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.469 ' O ' ' O ' ' A' ' 74' ' ' LYS . 26.9 t 59.1 131.55 0.02 OUTLIER Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.508 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -50.24 123.5 11.2 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.83 2.353 . . . . 0.0 112.107 178.155 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 65.3 t -82.71 -25.06 8.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.531 -179.109 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.418 ' H ' HG23 ' A' ' 78' ' ' THR . 17.1 p -47.89 -27.34 2.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.6 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.84 -23.19 60.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.6 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -70.6 -34.76 72.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.572 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 41.2 m -70.15 -40.75 74.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.548 -179.207 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.519 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 2.8 m-85 -58.45 -50.01 75.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.581 -179.403 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 18.9 t90 -59.55 -41.7 90.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.538 -179.362 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -65.73 -42.82 90.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.508 -178.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.441 HD12 ' OE2' ' A' ' 88' ' ' GLU . 57.0 tp -71.06 -42.18 69.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.563 -177.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -69.83 -34.47 60.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.583 179.044 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 40.5 tttt -57.96 -38.17 75.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.574 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.441 ' OE2' HD12 ' A' ' 85' ' ' LEU . 12.8 pt-20 -87.17 -22.83 25.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.618 -178.54 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.632 HD13 ' O ' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -58.89 -45.72 89.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.525 -178.405 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.465 HD11 ' HB ' ' A' ' 51' ' ' ILE . 9.8 mt -61.99 -43.02 97.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.548 -179.201 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -60.62 -35.48 76.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.598 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 96.6 mttt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.602 -179.435 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.9 tp . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.803 0.335 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.4 p -56.2 -34.5 66.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.561 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -57.26 -41.99 80.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.601 179.485 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -59.35 -50.4 74.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.572 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -49.46 -34.72 17.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.578 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -77.29 -52.27 9.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.551 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.592 ' CE2' HD23 ' A' ' 15' ' ' LEU . 68.3 t80 -49.57 -43.81 46.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.593 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.5 t -59.62 -57.75 10.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.637 -178.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.6 -43.63 84.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.575 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.638 ' O ' ' N ' ' A' ' 17' ' ' GLN . 65.8 tp60 -63.83 -78.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.566 -179.251 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.624 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -32.2 -42.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.59 179.645 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.816 ' HZ1' ' HG ' ' A' ' 31' ' ' LEU . 66.0 mttt -63.71 -43.03 97.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.539 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.638 ' N ' ' O ' ' A' ' 14' ' ' GLN . 71.1 mt-30 -60.1 -58.32 9.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.53 178.636 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.493 ' O ' ' CG2' ' A' ' 21' ' ' THR . . . -52.57 -16.7 0.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.554 178.331 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.597 HD22 HG21 ' A' ' 24' ' ' VAL . 5.8 mt -90.36 -49.7 6.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.606 178.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 19' ' ' LEU . 64.0 tttm -38.02 -42.77 0.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.597 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.493 ' CG2' ' O ' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -55.58 -37.55 68.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.613 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.545 ' N ' ' O ' ' A' ' 19' ' ' LEU . 75.4 mmt-85 -69.0 -9.77 54.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.497 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.32 29.53 4.2 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.597 HG21 HD22 ' A' ' 19' ' ' LEU . 3.5 t -104.61 169.8 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.867 0.365 . . . . 0.0 110.574 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.554 ' H ' HG12 ' A' ' 24' ' ' VAL . 67.7 mmtt -112.14 148.36 34.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.565 179.364 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.4 m -120.69 17.21 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.586 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.533 ' NZ ' ' OD2' ' A' ' 30' ' ' ASP . 19.0 pttp -52.43 164.59 0.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.552 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -60.56 -34.44 74.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.542 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.496 ' HB3' ' HD2' ' A' ' 27' ' ' LYS . . . -58.85 -22.17 58.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.577 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.533 ' OD2' ' NZ ' ' A' ' 27' ' ' LYS . 81.3 m-20 -72.04 -42.92 65.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.564 -179.406 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.816 ' HG ' ' HZ1' ' A' ' 16' ' ' LYS . 4.6 mp -61.34 -43.59 98.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.563 -179.281 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 51.4 mt -48.6 -67.27 0.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.555 -178.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.536 ' O ' ' N ' ' A' ' 37' ' ' PHE . 88.8 tttt -69.4 -49.13 58.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.585 -177.58 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.44 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 59.1 t80 -57.82 -42.82 85.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.656 -176.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.529 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 17.1 t80 -71.1 -47.38 58.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.585 -177.55 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -76.86 -19.92 56.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.566 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.536 ' N ' ' O ' ' A' ' 33' ' ' LYS . 3.5 t80 -63.2 -51.99 64.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.601 -178.781 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.537 ' O ' ' N ' ' A' ' 42' ' ' CYS . 3.3 m -75.1 -37.64 40.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.561 -179.399 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 40' ' ' ASP . 50.0 tttp -60.1 -38.98 84.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.498 -179.158 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 39' ' ' LYS . 94.0 m-20 -39.24 -52.14 1.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.514 -179.613 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.463 ' O ' ' C ' ' A' ' 42' ' ' CYS . 17.9 p -113.88 -4.21 13.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.531 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.537 ' N ' ' O ' ' A' ' 38' ' ' VAL . 6.9 p 35.04 60.52 2.41 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.619 -179.565 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.407 ' HD3' ' N ' ' A' ' 42' ' ' CYS . 57.9 Cg_endo -78.25 -35.89 1.14 Allowed 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.865 2.377 . . . . 0.0 112.141 -179.35 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.594 ' HE1' ' H ' ' A' ' 52' ' ' ASP . 0.1 OUTLIER -77.6 3.21 14.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.586 -179.47 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.528 ' C ' ' H ' ' A' ' 47' ' ' GLN . 60.9 m-85 55.33 50.31 5.82 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.519 -179.338 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 45' ' ' PHE . 6.4 Cg_endo -48.09 -6.29 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.821 2.347 . . . . 0.0 112.064 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.528 ' H ' ' C ' ' A' ' 45' ' ' PHE . 98.5 mm-40 -62.93 -56.24 18.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.502 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -92.78 -30.2 15.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.518 179.374 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.53 87.12 1.37 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.8 t -142.68 166.64 24.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.782 0.325 . . . . 0.0 110.595 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.428 ' O ' ' OD2' ' A' ' 52' ' ' ASP . 0.3 OUTLIER -117.56 136.9 53.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.595 179.617 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.594 ' H ' ' HE1' ' A' ' 44' ' ' TRP . 96.3 m-20 -139.85 122.01 15.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.554 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 30.0 mm -75.68 -39.97 39.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.574 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -64.55 -53.38 48.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.607 -178.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.47 ' CZ ' ' CZ ' ' A' ' 45' ' ' PHE . 78.8 mtp85 -64.13 -33.82 76.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.567 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.584 ' CE3' ' CH2' ' A' ' 44' ' ' TRP . 13.4 t-105 -58.38 -37.41 75.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.62 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 71.4 ttp85 -66.97 -39.79 87.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.637 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.486 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 94.4 mtt-85 -57.33 -52.26 66.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.52 -179.603 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.8 p -66.25 -33.02 60.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.555 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.06 -46.13 82.73 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -75.92 -34.27 59.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.829 0.347 . . . . 0.0 110.552 -179.4 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.486 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 91.4 m -65.58 -38.86 90.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.564 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -82.17 -40.46 21.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.533 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -66.12 -35.99 81.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.545 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.815 ' O ' HG23 ' A' ' 69' ' ' THR . 10.6 t0 -66.75 -52.92 38.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.558 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.485 ' O ' ' OG1' ' A' ' 69' ' ' THR . 7.7 m-85 -67.97 -38.18 82.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.528 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.436 ' CD1' ' HG3' ' A' ' 72' ' ' PRO . 57.8 t80 -69.27 -41.27 77.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.536 -179.561 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.469 ' O ' ' N ' ' A' ' 71' ' ' GLY . 43.5 t-20 -62.79 -40.78 98.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.593 -178.66 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.815 HG23 ' O ' ' A' ' 65' ' ' ASP . 76.1 p -49.52 -19.54 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.607 -179.108 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -93.58 15.27 16.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.588 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 39.29 61.66 1.43 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.436 ' HG3' ' CD1' ' A' ' 67' ' ' TYR . 57.6 Cg_endo -80.3 132.61 9.28 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.854 2.369 . . . . 0.0 112.13 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -89.74 -32.1 17.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.537 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.514 ' O ' ' C ' ' A' ' 75' ' ' VAL . 50.8 mmtt -61.64 -49.07 78.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.6 -178.693 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.514 ' C ' ' O ' ' A' ' 74' ' ' LYS . 99.3 t 29.98 85.0 0.15 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.574 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_exo -55.87 125.23 18.42 Favored 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 122.772 2.315 . . . . 0.0 112.16 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 62.3 t -82.24 -22.91 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.569 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.7 p -44.56 -31.69 1.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.519 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.78 -35.03 68.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.512 179.342 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -73.74 -34.88 64.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.552 -179.315 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 77.9 p -69.12 -37.46 78.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.581 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.487 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 2.9 m-85 -61.89 -49.11 77.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.533 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 29.6 t90 -60.4 -38.13 82.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.541 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -63.3 -51.34 66.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.644 -178.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.41 HD23 HD11 ' A' ' 15' ' ' LEU . 62.2 tp -65.15 -50.06 67.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.584 -179.291 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -61.53 -40.22 85.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.547 -179.557 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 53.9 tttt -50.78 -49.02 59.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.572 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.424 ' C ' ' CD ' ' A' ' 88' ' ' GLU . 0.5 OUTLIER -84.49 -17.64 38.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.524 -178.83 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 89' ' ' LEU . 33.2 tp -60.79 -43.32 98.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.609 -178.133 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 30.5 mt -61.54 -45.37 98.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.53 -179.586 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -63.31 -11.72 24.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.612 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 78.7 tttt . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.594 179.902 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 40.3 tp . . . . . 0 C--O 1.239 0.542 0 CA-C-O 121.257 0.551 . . . . 0.0 110.465 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 t -55.11 -28.6 53.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.258 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.785 HE22 HH11 ' A' ' 10' ' ' ARG . 67.5 tp60 -57.2 -46.64 82.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.388 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -59.39 -47.85 83.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.132 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -50.26 -34.14 22.17 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.142 0.496 . . . . 0.0 110.297 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.785 HH11 HE22 ' A' ' 7' ' ' GLN . 53.7 ttp180 -79.33 -49.93 11.66 Favored 'General case' 0 C--O 1.215 -0.737 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.453 179.143 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.451 ' O ' ' CB ' ' A' ' 15' ' ' LEU . 43.0 t80 -52.98 -41.75 64.89 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.089 0.471 . . . . 0.0 110.35 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.422 HG12 ' N ' ' A' ' 13' ' ' GLU . 3.2 t -62.2 -60.58 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.271 -179.216 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.422 ' N ' HG12 ' A' ' 12' ' ' VAL . 78.8 tt0 -69.08 -45.35 70.54 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.301 -178.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.56 ' O ' ' N ' ' A' ' 17' ' ' GLN . 65.0 tp60 -65.22 -77.22 0.06 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.613 -179.051 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.723 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -34.7 -46.0 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.611 -178.678 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.586 ' HZ2' ' CD1' ' A' ' 31' ' ' LEU . 69.8 mttt -53.52 -43.99 68.79 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.605 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.56 ' N ' ' O ' ' A' ' 14' ' ' GLN . 86.2 mt-30 -60.9 -54.66 42.37 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.078 0.466 . . . . 0.0 109.814 178.665 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.508 ' O ' HG23 ' A' ' 21' ' ' THR . . . -56.21 -14.75 2.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.497 178.615 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.612 HD22 HG21 ' A' ' 24' ' ' VAL . 3.4 mt -88.41 -50.98 5.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.987 178.662 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -43.01 -42.64 3.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.673 -179.434 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.508 HG23 ' O ' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -58.72 -31.13 68.0 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.684 179.772 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 19' ' ' LEU . 79.1 mmt-85 -71.17 -8.08 51.06 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.577 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.49 21.08 8.14 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.67 HG12 ' N ' ' A' ' 25' ' ' LYS . 21.2 t -103.39 171.54 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.678 0.275 . . . . 0.0 110.611 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.67 ' N ' HG12 ' A' ' 24' ' ' VAL . 60.4 mttp -115.33 144.85 43.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.393 179.515 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.779 ' O ' HG23 ' A' ' 26' ' ' VAL . 18.8 m -124.0 84.25 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 121.102 0.477 . . . . 0.0 110.576 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.7 pttt -108.3 166.15 10.97 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.812 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.489 ' CZ ' HD21 ' A' ' 32' ' ' LEU . 75.7 t80 -55.83 -37.32 68.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.107 0.48 . . . . 0.0 110.625 179.677 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.12 -21.79 59.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.673 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -71.59 -40.83 69.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.794 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.586 ' CD1' ' HZ2' ' A' ' 16' ' ' LYS . 4.3 mp -63.94 -40.8 97.28 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-O 121.126 0.489 . . . . 0.0 110.269 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.489 HD21 ' CZ ' ' A' ' 28' ' ' TYR . 46.1 mt -58.22 -53.52 57.35 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.429 -0.508 . . . . 0.0 111.092 -178.586 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -75.24 -53.72 8.31 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.13 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.417 ' O ' HG22 ' A' ' 38' ' ' VAL . 54.7 t80 -55.64 -42.1 74.52 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.47 -177.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.482 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 5.3 t80 -72.07 -44.19 63.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.125 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -74.73 -22.59 58.73 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 121.018 0.437 . . . . 0.0 110.676 -179.013 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -64.23 -53.56 47.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.765 -178.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' A' ' 42' ' ' CYS . 3.8 m -74.75 -37.16 42.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.007 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -56.65 -31.24 64.19 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.535 -179.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -43.53 -63.75 0.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.856 -179.192 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 46.3 p -114.69 -5.93 12.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.853 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.517 ' N ' ' O ' ' A' ' 38' ' ' VAL . 3.9 m 48.04 63.86 9.57 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.14 0.495 . . . . 0.0 110.631 -178.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.627 ' C ' ' H ' ' A' ' 45' ' ' PHE . 8.4 Cg_exo -70.77 -20.88 29.52 Favored 'Trans proline' 0 C--N 1.302 -1.868 0 C-N-CA 123.034 2.489 . . . . 0.0 112.291 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.456 ' NE1' HG23 ' A' ' 51' ' ' ILE . 0.1 OUTLIER -64.8 27.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.691 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.627 ' H ' ' C ' ' A' ' 43' ' ' PRO . 0.1 OUTLIER 58.28 93.68 0.05 OUTLIER Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.215 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -75.78 -10.53 19.99 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.819 2.346 . . . . 0.0 112.25 -178.225 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -84.29 -56.86 3.42 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.198 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.535 ' OE1' ' CD2' ' A' ' 45' ' ' PHE . 19.7 pt-20 -90.49 -30.7 17.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.813 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.16 62.71 2.69 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.711 -0.956 . . . . 0.0 110.711 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.1 t -139.99 170.28 16.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.855 0.36 . . . . 0.0 110.752 -179.138 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.456 HG23 ' NE1' ' A' ' 44' ' ' TRP . 1.2 mt -83.19 142.66 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.318 179.421 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.419 ' C ' ' OD2' ' A' ' 52' ' ' ASP . 56.6 t0 -140.31 121.72 15.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.089 0.471 . . . . 0.0 110.362 179.445 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 36.6 mm -71.22 -41.73 75.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.069 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -60.8 -56.87 16.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.239 -178.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.469 ' NH1' ' CZ ' ' A' ' 45' ' ' PHE . 92.9 mtt180 -62.49 -34.0 75.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.699 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.541 ' NE1' ' NE1' ' A' ' 83' ' ' TRP . 44.8 t-105 -57.52 -39.51 76.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.091 0.472 . . . . 0.0 110.649 -179.652 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -66.47 -37.55 85.35 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.389 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.481 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 60.3 ttt85 -60.43 -53.14 61.15 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.842 -179.385 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.4 p -63.26 -37.5 79.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.58 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -63.33 -47.59 86.38 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -71.99 -36.28 69.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.81 0.338 . . . . 0.0 110.783 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.481 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 85.5 m -64.5 -37.85 88.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.8 -179.451 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -84.98 -39.47 18.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.907 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -63.9 -39.74 94.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.335 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.692 ' O ' HG23 ' A' ' 69' ' ' THR . 11.5 t0 -66.74 -51.61 53.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.544 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.477 ' O ' ' OG1' ' A' ' 69' ' ' THR . 71.1 t80 -63.34 -40.07 96.28 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.537 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.421 ' CE2' ' CG ' ' A' ' 72' ' ' PRO . 59.9 t80 -69.9 -38.34 76.27 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.722 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.504 ' O ' ' N ' ' A' ' 71' ' ' GLY . 34.9 t30 -64.09 -40.04 95.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.054 -178.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.692 HG23 ' O ' ' A' ' 65' ' ' ASP . 55.1 p -48.4 -20.44 0.41 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.846 -179.106 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -92.27 14.87 15.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.786 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 40.48 60.11 2.12 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.406 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.466 ' O ' HG23 ' A' ' 75' ' ' VAL . 58.6 Cg_endo -78.7 129.35 9.13 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 122.793 2.329 . . . . 0.0 112.22 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.5 tp10 -87.8 -27.12 22.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.641 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.519 ' O ' ' C ' ' A' ' 75' ' ' VAL . 54.7 mmtt -64.37 -47.29 79.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.86 -178.672 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.519 ' C ' ' O ' ' A' ' 74' ' ' LYS . 73.7 t 25.74 82.49 0.18 Allowed Pre-proline 0 C--O 1.232 0.165 0 O-C-N 123.793 0.683 . . . . 0.0 110.78 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.02 125.95 19.93 Favored 'Trans proline' 0 C--N 1.308 -1.574 0 C-N-CA 122.598 2.199 . . . . 0.0 111.761 -179.05 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 67.0 t -82.09 -26.64 9.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.785 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.432 HG23 ' H ' ' A' ' 78' ' ' THR . 19.6 p -44.28 -31.02 0.9 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.303 -179.59 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.23 -31.62 65.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.019 0.438 . . . . 0.0 110.79 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -66.66 -40.09 88.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.972 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 71.3 m -60.6 -40.05 90.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.634 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.517 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 17.5 m-85 -60.01 -46.37 89.69 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.615 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.541 ' NE1' ' NE1' ' A' ' 56' ' ' TRP . 10.3 m0 -55.45 -48.36 74.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.112 -179.26 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 -64.99 -41.76 95.11 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.307 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.658 HD23 HD11 ' A' ' 15' ' ' LEU . 53.5 tp -69.89 -58.36 3.96 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.102 -179.112 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -55.69 -39.16 53.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.918 0.39 . . . . 0.0 110.333 179.389 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 64.9 tttt -53.14 -48.94 67.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.548 -178.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.84 -17.23 38.68 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.246 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 89' ' ' LEU . 29.5 tp -60.59 -42.27 96.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.485 -176.567 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 28.7 mt -60.38 -42.48 91.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.469 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -74.55 -5.44 42.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.556 -179.535 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 73.8 tttt . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.721 -179.565 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 38.2 tp . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.868 0.366 . . . . 0.0 110.611 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.3 m -55.82 -35.92 66.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.552 179.021 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -55.99 -41.8 75.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.584 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -57.3 -51.39 69.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.638 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -48.01 -36.88 13.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.601 177.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 93.0 mtt-85 -77.84 -48.83 15.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.562 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -47.29 -44.98 23.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.496 178.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.3 t -61.51 -53.84 43.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.521 -178.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -67.3 -45.6 76.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.584 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.667 ' O ' ' N ' ' A' ' 17' ' ' GLN . 68.2 tp60 -65.63 -78.74 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.563 -179.176 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.639 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -30.23 -48.76 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.612 -179.765 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.773 ' HZ1' ' HG ' ' A' ' 31' ' ' LEU . 62.1 mttt -60.88 -41.09 95.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.629 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.667 ' N ' ' O ' ' A' ' 14' ' ' GLN . 75.5 mt-30 -66.33 -59.93 3.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.547 178.003 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.498 ' O ' ' CG2' ' A' ' 21' ' ' THR . . . -49.69 -15.94 0.21 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.568 177.654 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.591 HD22 HG21 ' A' ' 24' ' ' VAL . 5.3 mt -88.13 -50.01 6.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.595 178.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -42.47 -38.12 1.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.58 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 18' ' ' ALA . 1.2 t -64.01 -32.06 73.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.56 -179.387 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 19' ' ' LEU . 24.9 mmm-85 -72.52 -6.52 44.47 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.532 -179.271 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 106.86 25.72 6.08 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.277 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.601 HG12 ' N ' ' A' ' 25' ' ' LYS . 15.0 t -106.75 169.1 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.727 0.299 . . . . 0.0 110.601 179.549 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.601 ' N ' HG12 ' A' ' 24' ' ' VAL . 68.7 mttm -115.62 144.54 43.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.568 178.719 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.783 ' O ' HG23 ' A' ' 26' ' ' VAL . 22.2 m -122.6 85.11 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.522 -178.78 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.529 ' HD3' ' H ' ' A' ' 29' ' ' ALA . 11.8 tmtt? -110.12 161.99 15.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.572 178.708 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.561 ' CZ ' HD21 ' A' ' 32' ' ' LEU . 72.4 t80 -52.14 -30.84 28.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.534 -179.535 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.529 ' H ' ' HD3' ' A' ' 27' ' ' LYS . . . -61.81 -23.1 66.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.587 179.679 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.444 ' CB ' ' HZ3' ' A' ' 16' ' ' LYS . 88.3 m-20 -73.01 -41.91 63.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.559 -178.656 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.773 ' HG ' ' HZ1' ' A' ' 16' ' ' LYS . 2.8 mp -60.01 -43.74 95.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.589 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.561 HD21 ' CZ ' ' A' ' 28' ' ' TYR . 62.3 mt -49.58 -66.59 0.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.61 -179.188 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.504 ' O ' ' N ' ' A' ' 37' ' ' PHE . 87.8 tttt -69.52 -54.07 16.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.58 -178.147 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.439 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 63.4 t80 -52.1 -45.76 64.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.541 -176.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.532 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 20.5 t80 -68.62 -42.46 78.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.57 -177.632 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -77.33 -20.78 54.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.624 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.504 ' N ' ' O ' ' A' ' 33' ' ' LYS . 77.9 t80 -61.93 -48.84 78.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.567 -178.823 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.538 ' O ' ' N ' ' A' ' 42' ' ' CYS . 2.9 m -80.01 -33.0 14.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.547 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.447 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 79.6 tttt -56.8 -33.39 66.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.503 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -42.27 -62.9 0.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.595 -179.07 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.5 p -116.33 -0.29 12.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.535 -179.159 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.552 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 20.0 m 40.13 61.99 6.05 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.502 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.593 ' C ' ' H ' ' A' ' 45' ' ' PHE . 8.0 Cg_exo -71.25 -18.67 30.11 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.757 2.305 . . . . 0.0 112.168 -179.455 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -68.55 28.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.564 -178.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.628 ' O ' ' N ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER 54.01 91.85 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.587 179.344 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -54.92 -36.35 91.69 Favored 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.826 2.351 . . . . 0.0 112.141 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -85.46 -43.57 13.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.551 -178.263 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.507 ' HB3' HG22 ' A' ' 50' ' ' THR . 0.4 OUTLIER -85.46 -17.69 35.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.592 -178.559 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.628 ' N ' ' O ' ' A' ' 45' ' ' PHE . . . 43.67 23.31 0.33 Allowed Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -178.646 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.507 HG22 ' HB3' ' A' ' 48' ' ' GLU . 7.1 t -98.36 171.77 7.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.778 0.323 . . . . 0.0 110.577 -179.319 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.7 mt -90.13 141.6 14.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.545 178.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -135.29 120.29 18.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.58 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 26.9 mm -72.72 -41.29 62.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.571 -179.572 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -62.78 -54.69 35.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.584 -177.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 -66.1 -34.38 77.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.516 -179.339 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 41.1 t-105 -58.66 -36.96 74.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.561 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 77.4 mtp85 -67.86 -38.59 83.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.541 178.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.503 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 77.3 mtp85 -59.56 -52.0 67.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.604 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.2 p -63.57 -38.31 81.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.556 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -64.27 -50.21 61.35 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -69.58 -37.4 76.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.73 0.3 . . . . 0.0 110.5 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.503 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 68.1 m -62.15 -39.93 94.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.545 -179.7 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -82.89 -40.88 19.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.565 -179.321 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -63.63 -40.54 97.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.614 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.523 ' O ' HG23 ' A' ' 69' ' ' THR . 40.4 t0 -65.52 -50.99 63.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.615 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.428 ' O ' ' OG1' ' A' ' 69' ' ' THR . 61.1 t80 -63.83 -41.48 97.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.609 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -65.08 -38.85 92.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.563 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.541 ' O ' ' N ' ' A' ' 71' ' ' GLY . 90.5 m-20 -61.02 -41.4 96.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.554 -178.257 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.523 HG23 ' O ' ' A' ' 65' ' ' ASP . 81.0 p -46.82 -21.43 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.534 -178.601 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -89.93 15.67 9.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.601 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 38.65 59.44 1.62 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.396 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.435 ' O ' HG23 ' A' ' 75' ' ' VAL . 58.0 Cg_endo -78.07 132.61 11.71 Favored 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 122.804 2.336 . . . . 0.0 112.111 -179.691 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -89.38 -34.12 16.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.624 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.57 ' O ' ' C ' ' A' ' 75' ' ' VAL . 23.6 mtpt -59.93 -48.02 83.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.543 -178.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.57 ' C ' ' O ' ' A' ' 74' ' ' LYS . 72.0 t 24.11 84.87 0.11 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.572 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -56.93 124.23 15.74 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.881 2.387 . . . . 0.0 112.081 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 84.6 t -83.5 -22.86 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.599 -179.358 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 28.1 p -45.31 -27.34 0.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.56 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.27 -29.74 64.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.511 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.543 ' CE2' ' ND2' ' A' ' 84' ' ' ASN . 79.5 t80 -63.6 -38.98 93.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.59 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.1 m -66.59 -38.94 88.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.584 -178.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.512 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 6.5 m-85 -54.65 -52.13 63.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.569 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.577 ' CD1' ' N ' ' A' ' 83' ' ' TRP . 7.8 m0 -59.82 -41.94 92.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.545 -178.414 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.543 ' ND2' ' CE2' ' A' ' 80' ' ' PHE . 67.4 m-20 -66.23 -44.7 83.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.574 -178.738 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.406 ' HA ' HD12 ' A' ' 85' ' ' LEU . 56.9 tp -68.46 -53.85 20.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.578 -178.771 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.4 mt -60.28 -40.67 84.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.592 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -49.44 -50.69 39.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.532 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.438 ' C ' ' CD ' ' A' ' 88' ' ' GLU . 0.8 OUTLIER -85.4 -18.69 32.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.513 -178.469 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.423 ' HA ' HD12 ' A' ' 89' ' ' LEU . 41.7 tp -56.55 -42.36 78.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.629 -177.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 23.4 mt -62.45 -42.8 97.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.495 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -67.37 -11.11 56.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.518 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 70.0 tttt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.596 179.836 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.4 tp . . . . . 0 C--O 1.237 0.399 0 CA-C-O 121.146 0.498 . . . . 0.0 110.098 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.2 p -61.91 -35.38 78.19 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.079 0.466 . . . . 0.0 110.282 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -53.32 -41.86 66.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.042 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.514 ' ND1' ' CE1' ' A' ' 35' ' ' PHE . 10.6 t-160 -65.26 -43.97 89.6 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -54.13 -24.4 17.69 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.394 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.404 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 84.0 mtp180 -81.86 -52.09 7.45 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.155 179.521 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.591 ' CE2' HD23 ' A' ' 15' ' ' LEU . 47.0 t80 -59.37 -36.54 75.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.272 0.558 . . . . 0.0 110.051 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.9 t -65.02 -56.55 15.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 C-N-CA 120.356 -0.538 . . . . 0.0 111.266 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -70.58 -30.38 67.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.865 0.364 . . . . 0.0 111.398 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 17' ' ' GLN . 69.3 tp60 -77.02 -72.98 0.32 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.747 -179.345 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.591 HD23 ' CE2' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -41.72 -43.61 2.93 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -178.301 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.424 ' HB3' HG11 ' A' ' 26' ' ' VAL . 97.2 mttt -62.86 -43.36 99.0 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.201 -0.6 . . . . 0.0 110.924 179.244 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 14' ' ' GLN . 1.0 OUTLIER -50.05 -51.45 42.34 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-O 121.824 0.821 . . . . 0.0 110.165 -179.223 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.536 ' O ' HG22 ' A' ' 21' ' ' THR . . . -60.46 -58.13 9.78 Favored 'General case' 0 C--O 1.212 -0.89 0 C-N-CA 120.149 -0.62 . . . . 0.0 109.792 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.624 HD13 ' CZ ' ' A' ' 82' ' ' TYR . 5.3 mt -41.19 -47.48 3.31 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 123.61 0.568 . . . . 0.0 109.949 -179.544 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -49.61 -34.47 18.1 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.536 HG22 ' O ' ' A' ' 18' ' ' ALA . 0.7 OUTLIER -60.9 -33.21 72.78 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.081 179.334 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.2 mmt85 -73.25 11.3 0.77 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.465 -179.015 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.442 ' H ' ' C ' ' A' ' 21' ' ' THR . . . 95.43 -6.51 68.25 Favored Glycine 0 N--CA 1.465 0.611 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.545 HG12 ' N ' ' A' ' 25' ' ' LYS . 11.4 t -70.44 168.69 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 120.931 -0.308 . . . . 0.0 110.46 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.545 ' N ' HG12 ' A' ' 24' ' ' VAL . 51.2 tttp -123.56 130.6 52.91 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.175 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.742 ' O ' HG23 ' A' ' 26' ' ' VAL . 20.2 m -120.29 102.99 13.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 CA-C-O 121.12 0.486 . . . . 0.0 110.674 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.465 ' HD2' ' HB3' ' A' ' 29' ' ' ALA . 40.6 pttt -109.65 164.73 12.27 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.977 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.457 ' CE2' HD21 ' A' ' 32' ' ' LEU . 79.5 t80 -56.74 -36.12 69.39 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.242 0.544 . . . . 0.0 110.378 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.465 ' HB3' ' HD2' ' A' ' 27' ' ' LYS . . . -59.31 -22.45 61.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.943 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -72.46 -36.16 68.43 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.478 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.7 mp -68.21 -40.12 82.21 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.475 0.655 . . . . 0.0 110.048 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.457 HD21 ' CE2' ' A' ' 28' ' ' TYR . 39.6 mt -60.87 -39.98 91.24 Favored 'General case' 0 C--N 1.313 -1.011 0 C-N-CA 119.955 -0.698 . . . . 0.0 111.261 -179.064 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -85.26 -49.18 8.4 Favored 'General case' 0 C--O 1.215 -0.733 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.859 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.448 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 82.2 t80 -61.65 -39.28 90.77 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.106 0.479 . . . . 0.0 112.247 -179.477 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.514 ' CE1' ' ND1' ' A' ' 8' ' ' HIS . 1.8 t80 -76.13 -51.62 11.82 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.554 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -64.07 -30.4 71.47 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 121.099 0.476 . . . . 0.0 110.94 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -59.88 -49.7 76.65 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.845 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.582 ' O ' ' N ' ' A' ' 42' ' ' CYS . 0.0 OUTLIER -66.7 -35.72 75.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.169 -0.612 . . . . 0.0 110.675 179.833 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.5 mttt -52.71 -34.7 53.6 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.792 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -46.02 -64.19 0.8 Allowed 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.496 -0.482 . . . . 0.0 111.438 -179.377 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.2 p -111.98 -25.22 9.5 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.944 0.402 . . . . 0.0 111.383 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.582 ' N ' ' O ' ' A' ' 38' ' ' VAL . 1.3 m 57.39 50.44 4.3 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-O 121.374 0.607 . . . . 0.0 110.253 -179.381 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.529 ' C ' ' H ' ' A' ' 45' ' ' PHE . 62.2 Cg_endo -78.83 -21.17 9.89 Favored 'Trans proline' 0 C--N 1.308 -1.564 0 C-N-CA 122.129 1.886 . . . . 0.0 112.635 -179.445 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.626 ' CZ3' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -71.1 23.66 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.291 -179.614 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.529 ' H ' ' C ' ' A' ' 43' ' ' PRO . 10.0 m-85 40.67 74.82 0.67 Allowed Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.532 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -75.53 -11.23 20.55 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.545 2.163 . . . . 0.0 112.202 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -66.8 -56.37 10.75 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.471 -0.491 . . . . 0.0 110.466 -179.333 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -94.1 -14.71 25.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.022 0.439 . . . . 0.0 110.299 178.53 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.06 71.6 0.85 Allowed Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.9 t -125.61 169.32 12.6 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 110.476 -0.194 . . . . 0.0 110.476 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -113.0 142.62 24.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.779 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -144.25 121.6 11.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.685 0.279 . . . . 0.0 110.315 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 25.4 mm -71.01 -41.13 76.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.891 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -63.62 -58.31 7.34 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.83 -178.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -63.33 -35.9 81.92 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.508 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.626 ' CZ3' ' CZ3' ' A' ' 44' ' ' TRP . 21.5 t-105 -58.66 -40.18 82.75 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.952 -179.356 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 79.6 ttt-85 -65.2 -39.54 92.96 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.024 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.527 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 95.5 mtt-85 -58.76 -53.17 61.38 Favored 'General case' 0 C--O 1.226 -0.161 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.293 -179.366 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.7 p -64.47 -36.48 77.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.688 179.292 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.55 -54.11 36.5 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 120.628 -0.796 . . . . 0.0 111.748 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -70.49 -36.88 74.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.871 0.367 . . . . 0.0 111.13 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.527 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 91.0 m -63.1 -40.46 97.72 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.426 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -85.04 -46.32 11.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.303 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -60.21 -27.79 67.46 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.811 -179.441 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.827 ' O ' HG23 ' A' ' 69' ' ' THR . 26.9 t0 -76.63 -58.25 3.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.9 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.432 ' O ' ' OG1' ' A' ' 69' ' ' THR . 22.9 m-85 -64.43 -40.5 95.88 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.069 0.461 . . . . 0.0 111.493 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -62.98 -47.11 84.56 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -64.21 -39.25 93.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.743 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.827 HG23 ' O ' ' A' ' 65' ' ' ASP . 51.5 p -58.25 -24.84 60.68 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.105 -179.32 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -115.34 8.07 15.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.251 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -148.93 -160.31 9.03 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -64.97 141.01 68.74 Favored 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 123.338 2.692 . . . . 0.0 111.757 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -82.33 -37.16 26.14 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.066 0.46 . . . . 0.0 110.027 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.561 ' O ' ' O ' ' A' ' 75' ' ' VAL . 35.8 mmtt -72.01 -45.94 59.01 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.637 -178.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.561 ' O ' ' O ' ' A' ' 74' ' ' LYS . 0.1 OUTLIER 44.04 169.95 0.0 OUTLIER Pre-proline 0 CA--C 1.546 0.794 0 O-C-N 124.543 1.152 . . . . 0.0 111.857 179.496 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -57.44 124.82 17.02 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 120.567 0.845 . . . . 0.0 111.446 178.604 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.408 ' O ' HG12 ' A' ' 77' ' ' VAL . 46.5 t -84.99 -14.78 11.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.136 179.171 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 47.1 p -44.49 -24.7 0.2 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.059 0.457 . . . . 0.0 110.67 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.414 ' O ' ' CE2' ' A' ' 83' ' ' TRP . . . -58.87 -17.43 23.96 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.877 179.325 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -66.74 -42.33 86.4 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.175 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.4 m -61.9 -39.33 91.6 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 120.868 0.366 . . . . 0.0 110.756 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.624 ' CZ ' HD13 ' A' ' 19' ' ' LEU . 14.5 m-85 -59.32 -50.16 75.04 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.94 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.594 ' CD1' ' N ' ' A' ' 83' ' ' TRP . 6.7 m0 -58.1 -40.84 82.2 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.764 -0.374 . . . . 0.0 111.278 -179.683 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -64.5 -46.13 84.31 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.763 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 60.5 tp -69.8 -51.87 30.02 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.753 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -59.8 -35.44 60.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 C-N-CA 120.602 -0.439 . . . . 0.0 109.9 -179.583 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 68.8 tttt -58.19 -45.85 86.83 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.56 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -84.59 -17.54 38.43 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.76 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 30.3 tp -64.15 -43.21 95.92 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -176.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 7.3 mt -62.54 -42.47 95.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.765 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -49.25 -34.07 14.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.364 -178.505 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 C--N 1.326 -0.45 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.261 179.602 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.693 HD13 ' N ' ' A' ' 6' ' ' SER . 2.0 tm? . . . . . 0 CA--C 1.509 -0.611 0 CA-C-O 120.431 0.157 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.693 ' N ' HD13 ' A' ' 5' ' ' LEU . 24.3 p -43.37 -44.62 5.74 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.756 -177.069 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.487 ' O ' ' CB ' ' A' ' 11' ' ' TYR . 44.0 tt0 -48.63 -60.93 2.31 Favored 'General case' 0 C--O 1.214 -0.766 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.076 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 49.6 m170 -52.3 -41.52 63.0 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.387 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -65.51 -62.76 1.34 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.977 -179.112 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -67.08 -45.96 75.71 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.758 -178.571 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.487 ' CB ' ' O ' ' A' ' 7' ' ' GLN . 45.8 t80 -49.82 -56.17 11.4 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.157 0.504 . . . . 0.0 110.39 -179.536 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.49 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 5.7 t -60.77 -61.44 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 C-N-CA 119.862 -0.735 . . . . 0.0 112.182 -179.23 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -58.11 -47.47 83.17 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.609 -0.437 . . . . 0.0 111.941 -178.145 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.527 ' O ' ' N ' ' A' ' 17' ' ' GLN . 73.0 tp60 -68.29 -75.4 0.1 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.663 -178.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.455 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -38.33 -48.98 1.38 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 123.671 0.607 . . . . 0.0 110.164 -177.61 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' A' ' 12' ' ' VAL . 25.9 mmtt -62.75 -38.48 90.73 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.813 0.339 . . . . 0.0 110.28 179.031 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.527 ' N ' ' O ' ' A' ' 14' ' ' GLN . 68.4 tp60 -70.42 -59.54 2.8 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.168 179.535 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.465 ' O ' ' CG2' ' A' ' 21' ' ' THR . . . -44.52 -20.85 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.024 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 22' ' ' ARG . 7.6 mt -85.01 -51.29 6.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.342 178.185 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -44.32 -41.07 5.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.894 -178.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.465 ' CG2' ' O ' ' A' ' 18' ' ' ALA . 0.8 OUTLIER -60.84 -29.94 69.81 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.397 -179.726 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 19' ' ' LEU . 58.0 mtt180 -80.85 14.11 2.34 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.699 -0.401 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.47 25.24 36.7 Favored Glycine 0 N--CA 1.468 0.793 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.609 HG12 ' N ' ' A' ' 25' ' ' LYS . 20.9 t -101.35 169.41 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 121.101 -0.24 . . . . 0.0 110.46 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.609 ' N ' HG12 ' A' ' 24' ' ' VAL . 99.0 mttt -114.66 148.62 37.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.582 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.733 ' O ' HG23 ' A' ' 26' ' ' VAL . 30.6 m -111.37 88.11 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.952 0.406 . . . . 0.0 110.729 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.544 ' HD2' ' HB3' ' A' ' 29' ' ' ALA . 48.9 pttt -109.4 163.19 13.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.88 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -64.99 -37.93 89.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.617 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.544 ' HB3' ' HD2' ' A' ' 27' ' ' LYS . . . -57.81 -25.73 61.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.126 -179.53 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -72.67 -39.11 67.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.827 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.482 ' O ' ' CB ' ' A' ' 35' ' ' PHE . 0.7 OUTLIER -63.59 -41.85 98.31 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.358 0.599 . . . . 0.0 110.309 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.9 mt -49.82 -56.5 10.16 Favored 'General case' 0 C--N 1.31 -1.124 0 C-N-CA 119.649 -0.82 . . . . 0.0 111.249 -178.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -74.27 -52.16 13.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.717 -178.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.402 ' CB ' ' HZ1' ' A' ' 16' ' ' LYS . 14.3 t80 -59.37 -41.0 88.26 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -178.724 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.482 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 7.2 t80 -67.91 -46.65 70.97 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.793 178.561 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -71.85 -21.38 61.68 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.86 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -65.39 -57.76 7.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.828 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.536 ' O ' ' N ' ' A' ' 42' ' ' CYS . 2.5 m -71.18 -38.94 72.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.105 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -53.86 -34.93 60.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.605 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -41.44 -62.53 0.85 Allowed 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.916 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.453 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 12.9 p -114.67 2.13 14.39 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.198 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.536 ' N ' ' O ' ' A' ' 38' ' ' VAL . 11.1 p 36.02 62.45 2.74 Favored Pre-proline 0 N--CA 1.463 0.218 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.601 -178.529 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.543 ' C ' ' H ' ' A' ' 45' ' ' PHE . 6.8 Cg_exo -70.85 -15.26 33.03 Favored 'Trans proline' 0 C--N 1.309 -1.507 0 C-N-CA 122.987 2.458 . . . . 0.0 112.273 -179.269 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.413 ' CE2' HG23 ' A' ' 51' ' ' ILE . 0.9 OUTLIER -70.11 22.6 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.212 0.53 . . . . 0.0 111.258 -179.183 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.543 ' H ' ' C ' ' A' ' 43' ' ' PRO . 2.4 m-85 52.76 91.39 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.183 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -73.59 -6.15 18.25 Favored 'Trans proline' 0 C--N 1.313 -1.301 0 C-N-CA 122.349 2.033 . . . . 0.0 112.416 -179.312 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -83.0 -57.0 3.47 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.222 -0.591 . . . . 0.0 110.971 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.436 ' H ' ' HG2' ' A' ' 48' ' ' GLU . 8.2 pt-20 -92.95 -17.57 23.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.817 179.055 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 63.49 73.83 0.5 Allowed Glycine 0 CA--C 1.527 0.837 0 N-CA-C 110.328 -1.109 . . . . 0.0 110.328 -178.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.1 t -150.72 169.74 20.89 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.896 0.379 . . . . 0.0 110.938 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.45 ' HB ' HD11 ' A' ' 90' ' ' ILE . 2.0 mt -87.53 151.36 3.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.071 179.311 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -140.35 122.13 15.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.821 0.344 . . . . 0.0 110.288 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.9 mm -70.21 -41.62 78.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.139 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -62.89 -54.37 39.65 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.13 0.491 . . . . 0.0 111.543 -178.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -66.01 -35.68 81.22 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.334 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 35.1 t-105 -55.79 -37.32 68.45 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 121.209 0.528 . . . . 0.0 110.579 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -68.21 -40.25 82.16 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.93 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.434 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 45.9 mtm-85 -60.06 -49.65 76.84 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.56 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.447 HG13 ' N ' ' A' ' 60' ' ' GLY . 4.0 p -66.32 -43.11 91.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 CA-C-O 120.96 0.409 . . . . 0.0 110.41 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.447 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -60.58 -48.92 83.79 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 -179.618 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.444 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 63.7 t0 -70.46 -38.72 74.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.968 0.413 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.434 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 17.4 m -57.34 -43.47 83.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.695 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -75.97 -35.4 59.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.802 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -62.63 -47.64 82.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.796 -179.27 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.441 ' O ' HG23 ' A' ' 69' ' ' THR . 20.2 t0 -61.18 -50.88 71.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.728 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -61.37 -44.64 96.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.954 0.407 . . . . 0.0 110.845 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.412 ' CD1' ' HG3' ' A' ' 72' ' ' PRO . 71.0 t80 -62.42 -37.51 86.12 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.477 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.409 ' O ' ' N ' ' A' ' 71' ' ' GLY . 93.3 m-20 -61.91 -39.8 93.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.406 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.441 HG23 ' O ' ' A' ' 65' ' ' ASP . 64.1 p -50.31 -29.56 10.07 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.578 -179.38 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -79.01 13.3 1.81 Allowed 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.692 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.418 ' N ' ' HD3' ' A' ' 72' ' ' PRO . . . 40.34 58.32 2.47 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.216 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.445 ' O ' HG23 ' A' ' 75' ' ' VAL . 58.3 Cg_endo -78.36 131.08 10.41 Favored 'Trans proline' 0 C--N 1.309 -1.542 0 C-N-CA 122.806 2.337 . . . . 0.0 112.332 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -87.65 -34.15 18.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.121 0.486 . . . . 0.0 110.881 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 75' ' ' VAL . 49.5 mmtt -61.85 -46.6 88.75 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.071 -178.746 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 75' ' ' VAL . 76.9 t 29.67 80.13 0.24 Allowed Pre-proline 0 N--CA 1.466 0.342 0 O-C-N 123.607 0.567 . . . . 0.0 111.115 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -56.01 125.83 20.37 Favored 'Trans proline' 0 C--N 1.311 -1.423 0 C-N-CA 121.872 1.715 . . . . 0.0 111.54 -178.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 79' ' ' ALA . 87.4 t -82.39 -19.11 10.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.887 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 67.4 p -42.08 -24.68 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.693 -179.189 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 77' ' ' VAL . . . -56.5 -22.97 36.3 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.78 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -68.48 -40.51 80.94 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.868 179.277 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 32.6 m -63.18 -41.59 99.23 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.915 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.437 ' CE1' HD11 ' A' ' 19' ' ' LEU . 30.5 m-85 -58.41 -47.51 83.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.781 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 56.2 t-105 -56.22 -48.54 76.25 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.513 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -66.67 -40.17 88.46 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.746 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 61.1 tp -67.53 -65.28 0.71 Allowed 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 120.972 0.415 . . . . 0.0 111.037 -179.327 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -52.55 -31.93 16.27 Favored 'Isoleucine or valine' 0 C--O 1.241 0.631 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.204 -179.406 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 46.6 tttt -59.57 -41.79 91.02 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.278 -179.033 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.23 -19.15 34.43 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-O 120.809 0.338 . . . . 0.0 111.568 179.537 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.553 HD13 ' O ' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -61.17 -46.51 90.22 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 119.887 -0.725 . . . . 0.0 110.124 -177.062 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 92' ' ' LYS . 16.2 mt -64.07 -42.19 94.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 C-N-CA 120.066 -0.653 . . . . 0.0 110.822 -179.272 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -41.4 -23.91 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.798 -177.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 90' ' ' ILE . 98.3 mttt . . . . . 0 C--N 1.327 -0.405 0 C-N-CA 120.766 -0.373 . . . . 0.0 110.401 179.269 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 32.7 tp . . . . . 0 C--O 1.238 0.486 0 CA-C-O 121.195 0.521 . . . . 0.0 110.418 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.7 m -56.08 -35.62 67.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.209 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -53.67 -45.03 70.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.307 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 -58.36 -48.13 81.58 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.777 0.323 . . . . 0.0 110.197 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.442 ' O ' ' OE2' ' A' ' 13' ' ' GLU . 79.1 tt0 -47.53 -34.42 7.59 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.194 0.521 . . . . 0.0 110.197 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 87.0 mtt-85 -79.31 -45.24 20.05 Favored 'General case' 0 C--O 1.217 -0.65 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.108 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.607 ' CE2' HD23 ' A' ' 15' ' ' LEU . 89.3 t80 -55.26 -44.85 75.97 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.146 -179.396 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.9 t -60.49 -52.84 56.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.737 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.532 ' N ' ' OE2' ' A' ' 13' ' ' GLU . 7.2 mp0 -67.0 -37.08 83.56 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.993 0.425 . . . . 0.0 111.057 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.541 ' O ' ' N ' ' A' ' 17' ' ' GLN . 71.0 tp60 -71.25 -74.01 0.16 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.284 -179.454 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.607 HD23 ' CE2' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -37.61 -48.33 1.02 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.077 0.465 . . . . 0.0 110.147 -178.588 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.594 ' HZ2' ' CD1' ' A' ' 31' ' ' LEU . 65.8 mttt -61.23 -40.57 94.51 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.708 178.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.541 ' N ' ' O ' ' A' ' 14' ' ' GLN . 13.1 mm-40 -64.45 -57.51 9.06 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.278 0.561 . . . . 0.0 109.492 179.527 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.708 ' O ' HG22 ' A' ' 21' ' ' THR . . . -54.22 -14.45 1.15 Allowed 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.811 179.547 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.735 HD22 HG21 ' A' ' 24' ' ' VAL . 3.2 mt -85.16 -50.26 7.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.425 178.7 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -43.57 -33.15 1.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.118 -179.225 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.708 HG22 ' O ' ' A' ' 18' ' ' ALA . 5.3 t -61.01 -35.12 76.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.598 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 19' ' ' LEU . 61.1 mtp85 -72.34 -10.01 59.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.58 -179.642 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 106.65 29.93 4.51 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.735 HG21 HD22 ' A' ' 19' ' ' LEU . 7.8 t -106.18 168.34 2.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 121.128 -0.229 . . . . 0.0 110.409 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.539 ' N ' HG12 ' A' ' 24' ' ' VAL . 88.8 tttt -115.68 138.01 51.52 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.381 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.773 ' O ' HG23 ' A' ' 26' ' ' VAL . 14.4 m -110.03 91.63 1.8 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-O 121.44 0.638 . . . . 0.0 110.834 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.534 ' HD2' ' HB3' ' A' ' 29' ' ' ALA . 45.2 pttt -109.74 165.27 11.82 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.057 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -63.94 -36.76 85.0 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.18 0.515 . . . . 0.0 110.239 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.534 ' HB3' ' HD2' ' A' ' 27' ' ' LYS . . . -59.36 -24.35 63.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.647 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -72.03 -40.58 68.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.698 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.594 ' CD1' ' HZ2' ' A' ' 16' ' ' LYS . 2.3 mp -61.54 -39.34 90.72 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.001 0.429 . . . . 0.0 110.308 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 49.1 mt -56.06 -46.17 79.02 Favored 'General case' 0 C--N 1.31 -1.136 0 C-N-CA 120.055 -0.658 . . . . 0.0 110.962 -178.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.466 ' O ' ' CB ' ' A' ' 37' ' ' PHE . 88.2 tttt -80.55 -53.36 6.63 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -178.795 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.605 ' CZ ' ' CE1' ' A' ' 82' ' ' TYR . 0.9 OUTLIER -60.92 -37.96 84.08 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -178.323 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.474 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 6.9 t80 -72.38 -51.2 21.55 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.981 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -72.89 -20.21 61.13 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.449 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.466 ' CB ' ' O ' ' A' ' 33' ' ' LYS . 1.7 t80 -63.45 -61.32 2.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.044 -178.671 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.514 ' O ' ' N ' ' A' ' 42' ' ' CYS . 1.0 OUTLIER -68.15 -32.37 55.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.935 179.734 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -58.29 -36.48 73.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.616 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -41.58 -61.12 1.13 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.704 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.453 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 12.9 p -105.0 -6.77 19.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.752 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.514 ' N ' ' O ' ' A' ' 38' ' ' VAL . 19.5 p 38.9 57.61 5.71 Favored Pre-proline 0 C--N 1.332 -0.155 0 CA-C-O 121.072 0.463 . . . . 0.0 110.728 -179.307 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.527 ' C ' ' H ' ' A' ' 45' ' ' PHE . 65.3 Cg_endo -78.13 -17.14 13.62 Favored 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 122.559 2.173 . . . . 0.0 112.195 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.667 ' HE1' HG23 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -70.8 19.75 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.119 -179.503 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.527 ' H ' ' C ' ' A' ' 43' ' ' PRO . 2.9 m-85 54.28 85.05 0.2 Allowed Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.174 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -70.71 -8.73 24.28 Favored 'Trans proline' 0 C--N 1.31 -1.49 0 C-N-CA 122.746 2.297 . . . . 0.0 112.153 -178.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -81.21 -57.25 3.59 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.486 -0.486 . . . . 0.0 110.678 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -92.52 -24.45 18.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.814 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 64.91 71.06 0.93 Allowed Glycine 0 CA--C 1.527 0.784 0 N-CA-C 110.259 -1.137 . . . . 0.0 110.259 -178.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.5 t -131.61 169.95 15.42 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 120.804 0.335 . . . . 0.0 111.023 -179.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.667 HG23 ' HE1' ' A' ' 44' ' ' TRP . 1.1 mt -103.5 143.25 15.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.138 -179.704 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -137.79 121.0 16.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.097 0.475 . . . . 0.0 110.132 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 29.7 mm -70.89 -41.41 77.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.833 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -66.56 -51.86 51.94 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.081 -179.179 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 36.8 ttm-85 -62.07 -41.78 98.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.228 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 23.8 t-105 -52.63 -37.99 59.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.593 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -64.35 -41.89 96.52 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.327 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.474 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 94.0 mtt-85 -58.74 -53.44 58.34 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.987 -179.37 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.1 p -64.09 -38.26 81.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.408 179.181 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -61.87 -48.25 84.99 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -69.38 -36.99 77.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.888 0.375 . . . . 0.0 110.783 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.474 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 90.4 m -63.39 -36.23 83.02 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.686 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -83.16 -41.98 17.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.965 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -63.37 -39.55 94.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.386 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.751 ' O ' HG23 ' A' ' 69' ' ' THR . 17.3 t0 -66.54 -52.1 49.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.765 179.649 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.457 ' O ' ' OG1' ' A' ' 69' ' ' THR . 64.6 t80 -62.48 -42.1 99.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.595 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -68.73 -39.38 80.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.818 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.474 ' O ' ' N ' ' A' ' 71' ' ' GLY . 29.6 t30 -62.04 -40.68 96.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.196 -179.39 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.751 HG23 ' O ' ' A' ' 65' ' ' ASP . 73.5 p -48.67 -20.5 0.47 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.821 -179.433 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -90.47 15.06 11.44 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.785 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 40.18 58.98 2.27 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.728 -0.949 . . . . 0.0 110.728 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.582 ' O ' HG23 ' A' ' 75' ' ' VAL . 56.7 Cg_endo -78.85 125.74 6.84 Favored 'Trans proline' 0 C--N 1.309 -1.545 0 C-N-CA 122.856 2.371 . . . . 0.0 112.287 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -85.94 -25.35 26.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.554 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.492 ' O ' ' C ' ' A' ' 75' ' ' VAL . 53.2 mmtt -67.04 -47.35 71.64 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.953 -179.166 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 72' ' ' PRO . 98.5 t 26.89 82.73 0.18 Allowed Pre-proline 0 N--CA 1.463 0.179 0 O-C-N 123.889 0.743 . . . . 0.0 110.915 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -57.16 126.84 23.42 Favored 'Trans proline' 0 C--N 1.308 -1.596 0 C-N-CA 122.527 2.152 . . . . 0.0 111.494 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 43.9 t -81.63 -19.5 11.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.887 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.411 HG23 ' H ' ' A' ' 78' ' ' THR . 30.5 p -45.3 -31.41 1.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.179 -179.524 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.76 -29.94 65.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.125 0.488 . . . . 0.0 110.712 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -73.44 -36.92 65.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.962 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.7 m -65.2 -39.74 93.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.488 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.612 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 6.5 m-85 -61.22 -50.89 71.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.59 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 33.7 t90 -56.27 -39.3 72.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.986 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -61.99 -54.89 35.3 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.229 -179.195 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 57.7 tp -63.56 -47.98 79.32 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.99 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -60.37 -40.4 83.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.517 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 49.2 tttt -52.93 -47.52 67.97 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.669 -178.296 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.12 -17.73 39.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.649 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 37.1 tp -60.23 -41.68 93.62 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.707 -176.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 37.1 mt -62.26 -42.49 95.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.408 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -57.75 -17.34 14.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.553 -179.045 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 71.9 tttt . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.423 179.863 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' A' ' 5' ' ' LEU . 51.0 tp . . . . . 0 C--O 1.24 0.591 0 CA-C-O 121.057 0.456 . . . . 0.0 110.378 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.4 p -57.72 -32.01 66.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.207 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -54.53 -41.72 70.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.093 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -63.45 -47.2 82.81 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.306 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -45.58 -34.13 3.19 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.547 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -76.53 -46.61 25.78 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.189 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.41 ' CE1' HD23 ' A' ' 15' ' ' LEU . 66.5 t80 -50.9 -45.14 60.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.482 -179.426 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.506 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 15.5 t -63.25 -46.65 95.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.827 0.346 . . . . 0.0 110.845 179.399 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -66.73 -39.58 88.04 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.696 -0.401 . . . . 0.0 110.364 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.522 ' O ' ' N ' ' A' ' 17' ' ' GLN . 72.0 tp60 -74.06 -73.28 0.23 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.391 -178.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.524 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -37.37 -51.37 1.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.662 -178.826 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.506 ' CG ' ' O ' ' A' ' 12' ' ' VAL . 5.2 mmpp? -60.33 -37.7 81.45 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.603 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.522 ' N ' ' O ' ' A' ' 14' ' ' GLN . 46.7 mt-30 -68.62 -57.09 6.24 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.33 179.304 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.69 -16.83 1.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.345 179.177 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.477 HD11 ' CZ ' ' A' ' 82' ' ' TYR . 10.3 mt -84.22 -51.73 6.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.1 178.594 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -46.1 -42.14 13.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.508 -179.572 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.429 ' C ' ' H ' ' A' ' 23' ' ' GLY . 1.7 t -66.19 -30.22 70.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.748 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.4 mmm-85 -75.63 15.81 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.429 ' H ' ' C ' ' A' ' 21' ' ' THR . . . 80.5 25.25 57.2 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.655 HG12 ' N ' ' A' ' 25' ' ' LYS . 26.3 t -106.31 169.93 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.719 0.295 . . . . 0.0 110.777 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.655 ' N ' HG12 ' A' ' 24' ' ' VAL . 99.1 mttt -132.22 137.1 47.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.302 179.199 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.8 t -123.06 98.73 5.88 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.927 -179.478 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.509 ' HG2' ' H ' ' A' ' 28' ' ' TYR . 10.3 ttmt -91.33 164.46 13.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.227 178.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.704 ' CE1' HD11 ' A' ' 32' ' ' LEU . 92.5 t80 -50.6 -45.55 57.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.722 0.296 . . . . 0.0 110.663 179.665 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.32 -21.52 66.31 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.556 178.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -66.85 -45.11 79.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.76 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.551 ' O ' ' HB2' ' A' ' 35' ' ' PHE . 5.5 mp -64.39 -40.83 96.58 Favored 'General case' 0 C--O 1.208 -1.083 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.974 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.704 HD11 ' CE1' ' A' ' 28' ' ' TYR . 55.3 mt -57.71 -44.52 85.99 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.768 -179.067 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -74.25 -51.83 14.15 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.03 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.465 ' CE2' ' CE1' ' A' ' 82' ' ' TYR . 44.6 t80 -62.7 -37.59 87.1 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.337 -178.822 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.551 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 2.8 t80 -71.6 -46.32 59.55 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.88 179.332 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -71.78 -21.24 61.75 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.107 0.48 . . . . 0.0 110.385 -179.273 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.67 -59.65 3.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.091 -179.317 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.542 ' O ' ' N ' ' A' ' 42' ' ' CYS . 2.9 m -69.81 -38.5 76.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.032 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -57.52 -31.44 66.06 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.439 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -44.74 -60.82 1.83 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.682 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 42' ' ' CYS . 19.5 p -112.15 -1.96 15.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.749 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.542 ' N ' ' O ' ' A' ' 38' ' ' VAL . 23.1 t 36.68 65.64 2.21 Favored Pre-proline 0 C--O 1.221 -0.422 0 CA-C-O 121.234 0.54 . . . . 0.0 110.669 -179.221 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.537 ' C ' ' H ' ' A' ' 45' ' ' PHE . 11.9 Cg_exo -68.44 -19.86 42.57 Favored 'Trans proline' 0 C--N 1.297 -2.183 0 C-N-CA 123.118 2.545 . . . . 0.0 112.141 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.508 ' NE1' HG23 ' A' ' 51' ' ' ILE . 1.2 m-90 -70.68 22.81 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.77 -179.652 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.545 ' CE2' ' NE ' ' A' ' 55' ' ' ARG . 6.1 m-85 55.43 96.43 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.288 179.652 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -67.75 -7.84 20.67 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 123.003 2.469 . . . . 0.0 112.089 -178.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -85.74 -58.48 2.64 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.049 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -93.4 -22.22 19.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.948 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 59.48 75.8 0.25 Allowed Glycine 0 CA--C 1.527 0.786 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 -178.613 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.413 ' O ' ' CD1' ' A' ' 44' ' ' TRP . 12.4 t -139.77 169.09 18.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.814 0.34 . . . . 0.0 110.791 -179.337 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.508 HG23 ' NE1' ' A' ' 44' ' ' TRP . 1.4 mt -90.88 141.12 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.064 179.438 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -135.88 123.07 21.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.258 0.551 . . . . 0.0 110.614 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 40.3 mm -71.55 -39.92 70.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.919 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -66.51 -53.65 32.6 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.304 -178.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.545 ' NE ' ' CE2' ' A' ' 45' ' ' PHE . 93.4 mtt-85 -63.12 -34.79 78.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.701 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 35.5 t-105 -55.08 -38.87 68.64 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.2 0.524 . . . . 0.0 110.443 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -66.95 -38.98 87.13 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.312 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.468 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 23.7 mmt180 -59.81 -51.83 68.07 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -179.686 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.43 HG13 ' N ' ' A' ' 60' ' ' GLY . 3.2 p -64.14 -42.45 95.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.475 179.264 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.43 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -60.38 -43.92 98.14 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -71.73 -35.99 70.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.71 0.29 . . . . 0.0 110.422 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.468 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 89.0 m -64.56 -39.4 93.68 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.721 -179.646 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -78.94 -43.19 25.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.042 179.578 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 50.3 tp60 -64.22 -37.92 89.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.335 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.558 ' O ' HG23 ' A' ' 69' ' ' THR . 49.0 t0 -64.38 -52.6 57.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.712 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.458 ' O ' ' OG1' ' A' ' 69' ' ' THR . 6.3 m-85 -65.55 -39.03 91.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.724 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.417 ' CD2' ' HG3' ' A' ' 72' ' ' PRO . 66.9 t80 -65.96 -39.4 90.39 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.655 -179.627 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.468 ' O ' ' N ' ' A' ' 71' ' ' GLY . 19.7 m-20 -62.29 -42.07 99.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.086 -178.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.558 HG23 ' O ' ' A' ' 65' ' ' ASP . 81.2 p -48.4 -26.79 2.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.342 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -82.95 14.47 3.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.76 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 38.0 59.31 1.45 Allowed Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.203 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.427 ' O ' HG23 ' A' ' 75' ' ' VAL . 56.2 Cg_endo -78.02 130.12 10.15 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.851 2.367 . . . . 0.0 112.178 -179.713 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -88.53 -27.03 21.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.632 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.519 ' HD2' ' H ' ' A' ' 74' ' ' LYS . 9.8 mptt -67.31 -47.36 70.81 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 -178.743 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.518 ' C ' ' O ' ' A' ' 74' ' ' LYS . 94.8 t 27.16 78.7 0.24 Allowed Pre-proline 0 C--O 1.233 0.186 0 O-C-N 123.725 0.641 . . . . 0.0 110.812 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -55.66 125.75 20.14 Favored 'Trans proline' 0 C--N 1.308 -1.57 0 C-N-CA 122.534 2.156 . . . . 0.0 111.667 -179.379 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 92.6 t -81.99 -19.67 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.026 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 70.7 p -44.85 -26.36 0.4 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.407 -179.28 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.2 -24.0 51.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.683 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.411 ' CE1' ' ND2' ' A' ' 84' ' ' ASN . 40.1 t80 -67.05 -38.16 85.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 179.608 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 44.6 m -61.97 -39.69 93.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.843 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.477 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 30.4 m-85 -60.75 -48.57 81.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.743 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.42 ' CE3' ' OD1' ' A' ' 84' ' ' ASN . 37.2 t90 -56.17 -50.14 72.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.896 -179.582 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.42 ' OD1' ' CE3' ' A' ' 83' ' ' TRP . 89.1 m-20 -65.77 -40.69 92.29 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.347 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 63.4 tp -66.62 -64.78 0.78 Allowed 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.238 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -51.86 -34.71 17.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.1 0.476 . . . . 0.0 110.3 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 42.1 tttt -57.12 -43.55 82.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.671 -178.078 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.434 ' OE2' ' O ' ' A' ' 88' ' ' GLU . 0.5 OUTLIER -82.87 -20.02 36.34 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.657 -179.574 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.616 HD13 ' O ' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -60.56 -45.62 93.23 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.189 -177.53 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 7.3 mt -62.24 -43.51 98.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.135 -179.112 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -55.65 -38.23 69.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.457 -179.058 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.587 179.784 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 5' ' ' LEU . 35.1 tp . . . . . 0 C--O 1.242 0.672 0 CA-C-O 121.322 0.582 . . . . 0.0 110.52 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.2 m -52.17 -33.63 41.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.101 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 67.6 tp60 -53.38 -43.09 67.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.268 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -61.02 -48.76 80.28 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.259 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -49.46 -31.52 10.07 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-O 121.532 0.682 . . . . 0.0 110.626 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 76.3 mmt-85 -82.5 -48.78 10.65 Favored 'General case' 0 C--O 1.213 -0.845 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.024 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.701 ' CE2' HD23 ' A' ' 15' ' ' LEU . 92.6 t80 -52.87 -42.05 64.88 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.946 0.403 . . . . 0.0 110.168 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.1 t -62.09 -51.4 72.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 C-N-CA 120.621 -0.431 . . . . 0.0 110.825 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -67.8 -38.36 83.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.628 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.581 ' O ' ' N ' ' A' ' 17' ' ' GLN . 66.3 tp60 -71.27 -73.3 0.18 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.637 -179.442 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.701 HD23 ' CE2' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -37.29 -44.6 0.61 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.949 0.404 . . . . 0.0 110.159 -178.715 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.624 ' HZ2' ' CD1' ' A' ' 31' ' ' LEU . 75.4 mttt -62.12 -39.89 94.07 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.05 0.453 . . . . 0.0 110.942 178.768 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.581 ' N ' ' O ' ' A' ' 14' ' ' GLN . 61.5 mt-30 -64.39 -57.12 10.22 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.779 179.035 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.5 ' O ' ' CG2' ' A' ' 21' ' ' THR . . . -55.61 -15.49 2.99 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.419 0.628 . . . . 0.0 110.289 179.141 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 22' ' ' ARG . 8.8 mt -87.88 -53.11 4.92 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.307 178.378 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -41.19 -38.78 1.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.834 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.5 ' CG2' ' O ' ' A' ' 18' ' ' ALA . 0.6 OUTLIER -60.91 -34.84 75.29 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.74 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 19' ' ' LEU . 15.0 mmm180 -69.39 -9.51 53.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.728 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.09 29.52 4.54 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.464 HG12 ' H ' ' A' ' 25' ' ' LYS . 3.1 t -106.98 167.05 3.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.532 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.464 ' H ' HG12 ' A' ' 24' ' ' VAL . 49.3 mtmt -110.56 147.55 33.96 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.346 179.302 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.788 ' O ' HG23 ' A' ' 26' ' ' VAL . 16.4 m -129.02 85.88 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 121.392 0.615 . . . . 0.0 110.683 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.535 ' HD3' ' H ' ' A' ' 29' ' ' ALA . 11.0 tmtt? -109.84 165.41 11.72 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.945 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -53.97 -41.76 68.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 110.605 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.535 ' H ' ' HD3' ' A' ' 27' ' ' LYS . . . -57.26 -22.55 42.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.102 0.477 . . . . 0.0 110.598 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -71.33 -40.79 70.51 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.615 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.624 ' CD1' ' HZ2' ' A' ' 16' ' ' LYS . 4.2 mp -64.73 -42.54 95.15 Favored 'General case' 0 C--O 1.211 -0.926 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.199 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.5 mt -58.14 -50.25 74.14 Favored 'General case' 0 C--N 1.317 -0.848 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.007 -178.397 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -74.15 -52.85 11.24 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.181 -178.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -61.01 -41.68 96.99 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.08 -177.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.498 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 6.4 t80 -72.96 -43.38 62.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.898 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.462 ' OD1' ' O ' ' A' ' 36' ' ' ASP . 65.7 t0 -68.79 -34.82 76.18 Favored 'General case' 0 N--CA 1.458 -0.066 0 CA-C-O 121.039 0.447 . . . . 0.0 110.65 -179.099 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -57.07 -50.65 72.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.004 -178.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.54 ' O ' ' N ' ' A' ' 42' ' ' CYS . 14.3 m -71.31 -41.5 74.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.975 179.557 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.405 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 86.7 tttt -60.41 -25.59 66.05 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.418 -179.563 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -55.51 -55.76 28.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.043 -178.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.3 p -113.05 -3.2 14.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.845 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.54 ' N ' ' O ' ' A' ' 38' ' ' VAL . 3.0 m 39.48 60.97 5.93 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.602 -179.124 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.431 ' HD3' ' N ' ' A' ' 42' ' ' CYS . 58.8 Cg_endo -80.77 -12.69 12.13 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.901 2.401 . . . . 0.0 112.505 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.593 ' HE1' HG23 ' A' ' 51' ' ' ILE . 0.3 OUTLIER -77.76 21.98 0.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.831 -179.199 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.463 ' CE2' ' NE ' ' A' ' 55' ' ' ARG . 4.8 m-85 54.16 82.24 0.25 Allowed Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.391 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -69.65 -5.56 16.42 Favored 'Trans proline' 0 C--N 1.31 -1.492 0 C-N-CA 122.836 2.358 . . . . 0.0 112.131 -178.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -83.18 -57.13 3.4 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.544 -179.566 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.425 ' HG2' ' H ' ' A' ' 48' ' ' GLU . 7.8 pt-20 -91.85 -23.4 19.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.764 178.755 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.89 73.48 0.61 Allowed Glycine 0 CA--C 1.528 0.846 0 N-CA-C 110.656 -0.977 . . . . 0.0 110.656 -178.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.9 t -141.93 169.29 17.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.783 0.325 . . . . 0.0 110.768 -179.204 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.593 HG23 ' HE1' ' A' ' 44' ' ' TRP . 1.2 mt -90.43 143.85 10.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.101 179.557 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -140.16 120.36 13.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.286 0.565 . . . . 0.0 110.252 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.0 mm -72.6 -40.69 62.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.085 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -63.01 -56.66 15.07 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.22 -178.671 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.463 ' NE ' ' CE2' ' A' ' 45' ' ' PHE . 94.9 mtt-85 -62.92 -34.51 77.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.727 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 25.4 t-105 -57.1 -36.05 70.15 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 121.103 0.478 . . . . 0.0 110.538 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 76.6 ttt-85 -68.02 -41.17 82.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.333 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.506 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 84.2 mtt85 -58.48 -50.8 72.42 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.353 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.4 ' H ' HG12 ' A' ' 59' ' ' VAL . 3.2 p -64.19 -37.04 78.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.606 179.393 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -63.31 -45.71 94.5 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -71.12 -40.32 71.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.886 0.374 . . . . 0.0 110.631 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.506 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 89.1 m -60.52 -37.16 80.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.717 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -83.88 -38.85 20.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.973 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -63.37 -42.09 98.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.771 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.754 ' O ' HG23 ' A' ' 69' ' ' THR . 0.6 OUTLIER -69.5 -44.53 70.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.672 -179.667 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.461 ' N ' ' CG ' ' A' ' 65' ' ' ASP . 59.2 t80 -66.72 -43.72 83.5 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.668 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.404 ' CE2' ' CG ' ' A' ' 72' ' ' PRO . 62.6 t80 -67.1 -38.5 85.76 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.63 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.484 ' O ' ' N ' ' A' ' 71' ' ' GLY . 88.1 m-20 -61.57 -41.17 97.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.048 -178.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.754 HG23 ' O ' ' A' ' 65' ' ' ASP . 82.4 p -48.02 -24.22 1.02 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.813 -179.365 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -86.06 14.98 5.46 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.745 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 39.32 59.07 1.92 Allowed Glycine 0 CA--C 1.527 0.815 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.039 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.472 ' O ' HG23 ' A' ' 75' ' ' VAL . 58.1 Cg_endo -79.22 129.7 8.84 Favored 'Trans proline' 0 C--N 1.307 -1.649 0 C-N-CA 122.806 2.337 . . . . 0.0 112.336 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -88.57 -29.5 19.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.929 0.395 . . . . 0.0 110.48 179.513 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.509 ' O ' ' C ' ' A' ' 75' ' ' VAL . 48.8 mmtt -64.61 -46.49 82.4 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.856 -178.332 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.509 ' C ' ' O ' ' A' ' 74' ' ' LYS . 89.4 t 26.02 83.84 0.15 Allowed Pre-proline 0 CA--C 1.529 0.14 0 O-C-N 123.968 0.793 . . . . 0.0 110.779 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -55.5 125.57 19.58 Favored 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 122.372 2.048 . . . . 0.0 111.605 -179.068 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 93.0 t -82.71 -18.07 10.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.89 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 25.5 p -49.28 -25.43 2.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.194 -179.182 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.8 -27.01 48.99 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.009 0.433 . . . . 0.0 110.687 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.637 ' CE1' ' ND2' ' A' ' 84' ' ' ASN . 51.0 t80 -71.3 -34.09 70.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.99 179.672 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.0 t -68.62 -42.61 77.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.771 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.464 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 5.3 m-85 -57.98 -53.77 54.5 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.701 -179.286 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 42.0 t90 -58.3 -39.58 79.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.072 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.637 ' ND2' ' CE1' ' A' ' 80' ' ' PHE . 51.7 m-20 -64.43 -46.85 81.4 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.32 -179.085 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 63.8 tp -68.75 -50.38 51.01 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.727 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -60.98 -38.36 79.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.291 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 64.7 tttt -54.52 -47.72 72.79 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.554 -178.485 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.44 -18.17 36.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.115 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 33.9 tp -60.13 -40.64 90.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.402 -176.072 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 41.5 mt -61.22 -42.42 93.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.459 -179.464 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -54.47 -40.3 68.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.342 -178.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 96.9 mttt . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.749 179.401 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.738 HD13 ' N ' ' A' ' 6' ' ' SER . 1.9 tm? . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.709 -0.108 . . . . 0.0 110.709 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.738 ' N ' HD13 ' A' ' 5' ' ' LEU . 71.0 m -44.99 -39.14 5.29 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 120.159 -0.616 . . . . 0.0 110.444 -177.406 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.457 ' O ' ' CB ' ' A' ' 11' ' ' TYR . 31.5 tt0 -48.29 -60.88 2.31 Favored 'General case' 0 C--O 1.214 -0.788 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.836 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -54.26 -43.01 70.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.891 0.377 . . . . 0.0 111.223 -179.336 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -60.06 -63.35 1.33 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.431 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.475 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 80.2 mtp180 -66.23 -43.37 86.79 Favored 'General case' 0 C--O 1.206 -1.185 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.71 -179.305 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.457 ' CB ' ' O ' ' A' ' 7' ' ' GLN . 48.0 t80 -55.38 -56.35 21.1 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.216 0.531 . . . . 0.0 110.726 -179.21 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.75 -51.97 66.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 C-N-CA 120.074 -0.65 . . . . 0.0 111.928 -179.059 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -69.51 -48.25 61.15 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -178.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.518 ' O ' ' N ' ' A' ' 17' ' ' GLN . 65.1 tp60 -68.59 -72.39 0.18 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.255 -178.734 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.436 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -38.04 -49.91 1.32 Allowed 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.877 -177.858 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -63.87 -39.09 93.38 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.019 -0.673 . . . . 0.0 111.285 178.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.518 ' N ' ' O ' ' A' ' 14' ' ' GLN . 46.1 mt-30 -66.53 -59.34 3.72 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-O 121.211 0.529 . . . . 0.0 110.287 179.68 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.513 ' O ' ' CG2' ' A' ' 21' ' ' THR . . . -44.11 -21.74 0.05 OUTLIER 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.809 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.533 HD11 ' CE1' ' A' ' 82' ' ' TYR . 7.3 mt -85.76 -45.12 11.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.468 177.763 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 17' ' ' GLN . 96.6 mttt -39.7 -41.94 1.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.816 -179.015 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.513 ' CG2' ' O ' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -59.11 -35.45 73.47 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.673 179.827 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 19' ' ' LEU . 43.0 mmt-85 -71.1 -6.95 43.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.341 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.13 32.35 6.47 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.9 t -105.37 161.13 5.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -118.52 162.95 17.51 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.377 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.729 ' O ' HG23 ' A' ' 26' ' ' VAL . 10.3 m -124.38 106.02 16.18 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-O 121.36 0.6 . . . . 0.0 110.895 -179.583 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.489 ' HD2' ' HB3' ' A' ' 29' ' ' ALA . 41.2 pttt -110.31 168.01 9.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.563 0.697 . . . . 0.0 111.148 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -58.97 -39.89 83.11 Favored 'General case' 0 C--N 1.32 -0.714 0 O-C-N 121.692 -0.63 . . . . 0.0 109.967 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.489 ' HB3' ' HD2' ' A' ' 27' ' ' LYS . . . -64.53 -22.35 66.94 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.308 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.413 ' HB2' ' O ' ' A' ' 27' ' ' LYS . 57.8 m-20 -71.05 -41.48 70.7 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.566 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.462 ' O ' ' CB ' ' A' ' 35' ' ' PHE . 6.4 mp -64.2 -43.17 95.84 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.45 179.75 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.422 ' H ' ' HG ' ' A' ' 32' ' ' LEU . 40.8 mt -55.85 -50.35 70.82 Favored 'General case' 0 C--N 1.314 -0.964 0 C-N-CA 119.404 -0.918 . . . . 0.0 111.04 -178.539 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -74.31 -53.18 10.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.544 -178.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.453 ' O ' HG22 ' A' ' 38' ' ' VAL . 10.0 t80 -60.27 -40.39 90.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.992 0.425 . . . . 0.0 112.132 -178.207 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.462 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 5.9 t80 -70.0 -46.08 65.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.296 178.766 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -70.73 -21.29 62.56 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.795 -179.178 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -66.18 -59.68 3.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.815 -179.532 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.537 ' O ' ' N ' ' A' ' 42' ' ' CYS . 0.2 OUTLIER -68.23 -40.5 82.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.799 179.726 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -53.97 -33.94 58.34 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.761 -179.212 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -42.55 -64.07 0.67 Allowed 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.017 -179.274 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 61.1 p -116.04 3.22 13.57 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.168 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.537 ' N ' ' O ' ' A' ' 38' ' ' VAL . 15.9 m 38.78 63.35 4.21 Favored Pre-proline 0 C--O 1.223 -0.33 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.388 -178.591 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.558 ' C ' ' H ' ' A' ' 45' ' ' PHE . 22.0 Cg_exo -65.86 -20.38 58.36 Favored 'Trans proline' 0 C--N 1.307 -1.62 0 C-N-CA 122.808 2.339 . . . . 0.0 112.199 -179.327 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.449 ' O ' ' O ' ' A' ' 50' ' ' THR . 1.2 m-90 -70.3 26.55 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.309 0.576 . . . . 0.0 110.929 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.558 ' H ' ' C ' ' A' ' 43' ' ' PRO . 0.1 OUTLIER 63.1 98.44 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.053 -179.819 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -72.8 -5.84 17.92 Favored 'Trans proline' 0 C--N 1.311 -1.425 0 C-N-CA 122.317 2.011 . . . . 0.0 112.352 -178.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -83.68 -59.64 2.37 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.092 -0.643 . . . . 0.0 110.865 -179.418 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 54.3 tp10 -94.27 -36.67 11.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.123 178.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.12 65.7 1.27 Allowed Glycine 0 CA--C 1.529 0.918 0 N-CA-C 110.511 -1.036 . . . . 0.0 110.511 -177.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.449 ' O ' ' O ' ' A' ' 44' ' ' TRP . 10.2 t -138.87 169.7 17.32 Favored 'General case' 0 CA--C 1.523 -0.072 0 CA-C-O 120.963 0.411 . . . . 0.0 110.679 -179.53 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.437 ' CD1' HD23 ' A' ' 89' ' ' LEU . 1.4 mt -80.68 143.42 12.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.172 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -137.2 123.59 20.72 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.908 0.385 . . . . 0.0 110.508 179.401 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 37.5 mm -69.94 -41.61 79.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.62 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.461 ' CD ' HH11 ' A' ' 57' ' ' ARG . 70.8 mmtt -61.31 -56.14 23.8 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-O 121.441 0.639 . . . . 0.0 111.166 -179.095 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -64.01 -33.49 75.85 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.467 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 38.3 t-105 -56.93 -38.7 73.27 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 121.144 0.497 . . . . 0.0 110.519 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.461 HH11 ' CD ' ' A' ' 54' ' ' LYS . 88.6 mtm180 -66.18 -40.01 90.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.129 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.516 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 94.3 mtt180 -60.68 -51.72 68.18 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.351 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.437 HG13 ' N ' ' A' ' 60' ' ' GLY . 3.7 p -64.0 -41.9 93.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.466 179.625 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.437 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -61.86 -47.12 92.24 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 -179.643 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -71.12 -37.67 72.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.753 0.311 . . . . 0.0 110.716 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.516 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 91.3 m -66.12 -39.31 89.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.129 -179.771 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -82.73 -42.2 18.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.85 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -62.58 -44.44 96.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.687 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.779 ' O ' HG23 ' A' ' 69' ' ' THR . 13.6 t70 -63.58 -53.5 50.71 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.747 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.473 ' CD2' ' C ' ' A' ' 66' ' ' TYR . 16.7 t80 -61.35 -45.52 94.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.902 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.53 ' O ' ' N ' ' A' ' 71' ' ' GLY . 54.6 t80 -62.48 -45.63 92.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.761 -179.372 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 -64.21 -41.08 97.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.752 -179.401 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.779 HG23 ' O ' ' A' ' 65' ' ' ASP . 67.9 p -64.82 -31.76 73.14 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.363 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -111.15 12.86 21.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.563 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.53 ' N ' ' O ' ' A' ' 67' ' ' TYR . . . -128.22 -161.46 10.72 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 -179.627 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -79.31 159.21 26.21 Favored 'Trans proline' 0 C--N 1.309 -1.517 0 C-N-CA 123.192 2.595 . . . . 0.0 112.201 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -71.54 -32.73 68.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.126 0.489 . . . . 0.0 110.774 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 75' ' ' VAL . 48.8 mmtt -62.5 -44.54 96.13 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.698 -178.765 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.414 ' O ' ' O ' ' A' ' 74' ' ' LYS . 20.3 t 60.29 131.82 0.02 OUTLIER Pre-proline 0 C--N 1.318 -0.765 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.115 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -50.97 126.76 19.59 Favored 'Trans proline' 0 N--CA 1.491 1.358 0 C-N-CA 121.896 1.73 . . . . 0.0 111.889 179.166 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 45.0 t -82.95 -24.08 8.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.576 179.303 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.421 ' H ' HG23 ' A' ' 78' ' ' THR . 19.3 p -47.71 -27.51 1.99 Allowed 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.088 -179.508 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.18 -23.38 65.54 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.256 0.55 . . . . 0.0 111.232 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -66.46 -37.73 85.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.696 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 78.3 p -66.77 -34.24 77.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.615 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.533 ' CE1' HD11 ' A' ' 19' ' ' LEU . 19.0 m-85 -59.6 -49.85 76.16 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.678 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.416 ' O ' ' CB ' ' A' ' 87' ' ' LYS . 45.0 t90 -59.24 -47.58 84.83 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.901 -179.525 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -62.49 -41.13 98.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.308 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.408 HD21 ' CB ' ' A' ' 18' ' ' ALA . 52.5 tp -69.38 -61.96 1.58 Allowed 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 120.734 -0.387 . . . . 0.0 110.911 -179.646 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -54.87 -34.42 30.79 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 CA-C-O 121.161 0.505 . . . . 0.0 110.195 -179.422 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.416 ' CB ' ' O ' ' A' ' 83' ' ' TRP . 68.5 tttt -56.77 -47.87 79.14 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.849 -179.3 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.94 -18.03 33.79 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 121.023 0.44 . . . . 0.0 111.759 179.526 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.437 HD23 ' CD1' ' A' ' 51' ' ' ILE . 32.5 tp -58.26 -42.16 85.86 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.84 -175.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 26.2 mt -63.46 -43.43 98.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.255 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -52.97 -15.19 0.71 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -178.681 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 71.4 tttt . . . . . 0 C--N 1.325 -0.462 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.444 179.643 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 58.3 tp . . . . . 0 C--O 1.242 0.664 0 CA-C-O 121.182 0.515 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.5 p -54.98 -35.34 64.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.084 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -56.35 -39.34 72.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.265 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 63.7 t-80 -57.89 -49.35 77.03 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -49.8 -33.13 15.66 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.303 -0.559 . . . . 0.0 109.878 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -75.98 -49.22 18.29 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.248 178.609 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.674 ' CE1' HD23 ' A' ' 15' ' ' LEU . 87.8 t80 -52.11 -40.72 61.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.85 0.357 . . . . 0.0 110.26 -179.254 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.4 t -61.29 -51.49 72.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 120.331 -0.548 . . . . 0.0 110.845 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -67.74 -39.94 84.2 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.073 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.523 ' O ' ' N ' ' A' ' 17' ' ' GLN . 65.5 tp60 -69.51 -71.59 0.22 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.335 -179.412 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.674 HD23 ' CE1' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -38.51 -47.83 1.33 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.452 -179.12 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.715 ' HZ1' ' HG ' ' A' ' 31' ' ' LEU . 74.4 mttt -60.71 -41.71 95.76 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.596 178.67 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.523 ' N ' ' O ' ' A' ' 14' ' ' GLN . 63.0 mt-30 -62.38 -57.75 10.16 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 120.527 -0.469 . . . . 0.0 109.865 179.059 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.471 ' O ' HG23 ' A' ' 21' ' ' THR . . . -53.18 -16.49 1.23 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 121.071 0.462 . . . . 0.0 109.854 179.108 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.582 HD22 HG21 ' A' ' 24' ' ' VAL . 3.2 mt -87.86 -50.66 6.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.55 178.273 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -41.51 -41.42 2.1 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.499 -178.41 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.471 HG23 ' O ' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -61.0 -33.0 72.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.581 179.714 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 19' ' ' LEU . 73.1 mmt-85 -67.36 -6.78 20.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.462 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.97 22.63 8.22 Favored Glycine 0 N--CA 1.467 0.758 0 N-CA-C 111.274 -0.731 . . . . 0.0 111.274 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.622 HG12 ' N ' ' A' ' 25' ' ' LYS . 16.8 t -105.74 170.14 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.629 0.252 . . . . 0.0 110.687 -179.735 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.622 ' N ' HG12 ' A' ' 24' ' ' VAL . 98.5 mttt -112.63 150.9 30.77 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.61 179.451 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.779 ' O ' HG23 ' A' ' 26' ' ' VAL . 15.4 m -127.95 88.12 1.18 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-O 121.196 0.522 . . . . 0.0 110.561 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.454 ' HG2' ' H ' ' A' ' 28' ' ' TYR . 17.0 ttmt -109.76 163.64 13.31 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.464 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.454 ' H ' ' HG2' ' A' ' 27' ' ' LYS . 97.2 m-85 -57.73 -36.09 71.59 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.029 0.442 . . . . 0.0 110.235 179.59 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.19 -23.17 62.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.749 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.417 ' CB ' ' HZ3' ' A' ' 16' ' ' LYS . 86.3 m-20 -71.01 -44.11 66.57 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.766 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.715 ' HG ' ' HZ1' ' A' ' 16' ' ' LYS . 4.6 mp -60.77 -41.3 95.24 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-O 120.935 0.398 . . . . 0.0 110.3 -179.31 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.1 mt -52.81 -53.87 42.29 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 119.705 -0.798 . . . . 0.0 111.123 -179.056 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 37' ' ' PHE . 89.0 tttt -71.84 -52.37 17.77 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -178.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.548 ' O ' HG22 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -61.71 -37.9 85.89 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -178.346 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.466 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 8.1 t80 -71.64 -48.15 49.75 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.14 179.607 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -77.19 -23.4 51.51 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.025 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.465 ' CB ' ' O ' ' A' ' 33' ' ' LYS . 14.9 t80 -62.66 -51.69 66.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.976 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.548 HG22 ' O ' ' A' ' 34' ' ' PHE . 6.8 m -74.37 -33.01 32.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.568 179.464 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.511 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 80.2 tttt -57.81 -29.96 65.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.663 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -46.01 -58.45 3.57 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.735 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 78.0 p -114.95 -4.42 12.58 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.871 0.367 . . . . 0.0 111.01 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.52 ' N ' ' O ' ' A' ' 38' ' ' VAL . 3.3 m 42.41 65.7 4.84 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.799 -178.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.585 ' C ' ' H ' ' A' ' 45' ' ' PHE . 26.4 Cg_exo -63.47 -29.12 71.11 Favored 'Trans proline' 0 N--CA 1.497 1.722 0 C-N-CA 122.771 2.314 . . . . 0.0 112.126 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.431 ' CD1' ' O ' ' A' ' 50' ' ' THR . 1.7 m-90 -66.94 24.63 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.029 -179.502 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.585 ' H ' ' C ' ' A' ' 43' ' ' PRO . 55.5 m-85 41.48 82.5 0.22 Allowed Pre-proline 0 N--CA 1.455 -0.207 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -54.52 -5.94 0.5 Allowed 'Trans proline' 0 N--CA 1.492 1.394 0 C-N-CA 122.109 1.873 . . . . 0.0 112.485 -178.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.416 ' H ' ' C ' ' A' ' 45' ' ' PHE . 93.0 mm-40 -83.07 -56.76 3.6 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.479 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -91.83 -23.66 19.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.57 178.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 61.36 77.26 0.2 Allowed Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.614 -0.995 . . . . 0.0 110.614 -179.214 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.431 ' O ' ' CD1' ' A' ' 44' ' ' TRP . 9.1 t -145.61 171.04 15.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.934 0.397 . . . . 0.0 111.066 -179.302 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.463 ' HB ' HD11 ' A' ' 90' ' ' ILE . 0.8 OUTLIER -98.71 140.76 17.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.81 179.386 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -133.88 122.72 23.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.896 0.379 . . . . 0.0 110.527 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.1 mm -69.71 -41.07 79.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.103 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -64.68 -51.94 59.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.047 0.451 . . . . 0.0 110.931 -179.309 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 31.2 ttt85 -67.99 -39.15 83.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.431 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 44.7 t-105 -56.36 -35.8 68.09 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.244 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 63.6 ttm-85 -67.75 -41.61 83.09 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.224 179.39 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.514 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 78.6 mtp85 -60.22 -50.2 74.6 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.389 -179.738 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.4 HG13 ' N ' ' A' ' 60' ' ' GLY . 3.8 p -64.1 -40.52 89.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.832 0.349 . . . . 0.0 110.228 179.746 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.4 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -64.61 -53.18 36.76 Favored Glycine 0 CA--C 1.529 0.947 0 C-N-CA 121.145 -0.55 . . . . 0.0 111.845 -179.538 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.566 ' OD1' ' N ' ' A' ' 62' ' ' CYS . 14.4 p30 -68.23 -26.31 65.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.838 0.352 . . . . 0.0 110.827 -179.566 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.566 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 8.1 m -65.04 -40.9 95.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.287 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -81.62 -35.85 29.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.947 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -65.42 -43.36 90.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.551 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.476 ' O ' HG23 ' A' ' 69' ' ' THR . 34.0 t0 -63.34 -50.65 69.16 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.474 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.406 ' O ' ' OG1' ' A' ' 69' ' ' THR . 63.8 t80 -64.33 -41.06 96.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.713 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -67.29 -36.36 81.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 71' ' ' GLY . 11.7 m-20 -62.91 -39.87 95.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.257 -179.381 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 65' ' ' ASP . 68.1 p -50.05 -20.05 0.87 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.771 -179.437 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -89.58 14.4 11.64 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.523 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 40.38 58.69 2.41 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 -179.371 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.437 ' O ' HG23 ' A' ' 75' ' ' VAL . 59.0 Cg_endo -78.23 132.33 11.34 Favored 'Trans proline' 0 C--N 1.309 -1.505 0 C-N-CA 122.855 2.37 . . . . 0.0 112.491 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -87.0 -37.75 17.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.278 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.478 ' O ' ' C ' ' A' ' 75' ' ' VAL . 12.5 mptt -60.54 -45.8 92.53 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.325 -178.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.495 HG12 ' O ' ' A' ' 75' ' ' VAL . 60.6 t 29.37 82.82 0.2 Allowed Pre-proline 0 N--CA 1.466 0.337 0 O-C-N 123.543 0.527 . . . . 0.0 111.011 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -54.07 125.85 20.14 Favored 'Trans proline' 0 C--N 1.311 -1.432 0 C-N-CA 121.681 1.587 . . . . 0.0 111.604 -179.086 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.5 t -82.78 -16.98 11.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.419 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 70.2 p -46.83 -30.86 2.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.987 0.422 . . . . 0.0 110.019 -179.176 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.97 -30.23 65.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.835 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -71.28 -37.15 71.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.064 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 78.1 p -66.02 -42.29 89.84 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.54 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 13.5 m-85 -61.16 -45.83 93.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.716 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 38.5 m0 -56.4 -47.59 78.68 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.968 -178.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 62.3 m-20 -65.22 -42.05 93.81 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.864 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 55.7 tp -68.04 -63.14 1.12 Allowed 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.885 -179.536 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -50.34 -36.93 13.84 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.307 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 48.6 tttt -55.07 -46.12 75.4 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.895 -178.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.22 -19.33 43.44 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.988 -179.462 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.561 HD13 ' O ' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -60.68 -44.7 96.18 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.75 -177.784 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.463 HD11 ' HB ' ' A' ' 51' ' ' ILE . 19.4 mt -62.79 -42.88 97.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 C-N-CA 119.963 -0.695 . . . . 0.0 109.709 -179.671 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -43.55 -29.18 0.45 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.541 -178.664 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 32.7 tttp . . . . . 0 C--N 1.326 -0.42 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 -179.907 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.4 tp . . . . . 0 C--O 1.238 0.449 0 CA-C-O 121.204 0.526 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.2 p -56.0 -33.3 64.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.279 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -56.12 -47.35 78.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.229 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -57.25 -50.53 72.61 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.859 0.361 . . . . 0.0 110.059 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -46.23 -36.49 6.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.063 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.413 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 58.3 ttt85 -76.88 -47.33 21.51 Favored 'General case' 0 C--O 1.21 -1.023 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.433 178.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.417 ' O ' ' HB2' ' A' ' 15' ' ' LEU . 70.6 t80 -54.59 -47.96 72.7 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.309 0.576 . . . . 0.0 110.502 -178.522 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.1 t -61.82 -53.9 41.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 C-N-CA 120.146 -0.621 . . . . 0.0 111.662 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -69.33 -45.12 70.25 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.082 0.468 . . . . 0.0 111.878 -179.253 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.584 ' O ' ' N ' ' A' ' 17' ' ' GLN . 61.6 tp60 -67.54 -73.68 0.13 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.745 -179.419 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.553 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -37.26 -46.4 0.73 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -178.287 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.617 ' HB3' HG11 ' A' ' 26' ' ' VAL . 63.8 mttt -60.78 -40.21 91.7 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.716 178.843 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.584 ' N ' ' O ' ' A' ' 14' ' ' GLN . 48.0 mm-40 -66.47 -58.65 4.81 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.113 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.624 ' O ' HG22 ' A' ' 21' ' ' THR . . . -50.33 -15.99 0.29 Allowed 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.095 179.097 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.465 ' CD1' ' CZ ' ' A' ' 82' ' ' TYR . 3.1 mt -85.07 -47.7 9.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.114 178.698 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.467 ' CE ' HG22 ' A' ' 26' ' ' VAL . 97.8 mttt -46.48 -34.67 4.97 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.478 -179.538 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.624 HG22 ' O ' ' A' ' 18' ' ' ALA . 3.2 t -57.32 -33.47 67.75 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.429 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 92.6 mtt-85 -73.63 -13.75 61.05 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.532 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.02 30.49 3.92 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.596 HG12 ' N ' ' A' ' 25' ' ' LYS . 30.0 t -107.55 166.22 4.17 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 CA-C-O 120.789 0.328 . . . . 0.0 110.951 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.596 ' N ' HG12 ' A' ' 24' ' ' VAL . 98.6 mttt -135.2 143.24 46.31 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 179.077 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.617 HG11 ' HB3' ' A' ' 16' ' ' LYS . 4.1 m -123.49 124.59 69.99 Favored 'Isoleucine or valine' 0 C--O 1.231 0.113 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.804 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.57 ' HD3' ' H ' ' A' ' 29' ' ' ALA . 10.8 tmtt? -110.43 166.4 11.02 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.344 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -50.7 -42.08 56.62 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 121.19 0.519 . . . . 0.0 110.397 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.57 ' H ' ' HD3' ' A' ' 27' ' ' LYS . . . -63.18 -17.96 62.96 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.193 178.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.473 ' HB2' ' H ' ' A' ' 27' ' ' LYS . 20.7 t0 -68.93 -45.44 70.81 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.49 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.61 ' HG ' ' HZ1' ' A' ' 16' ' ' LYS . 5.8 mp -64.85 -41.39 95.74 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.198 0.523 . . . . 0.0 109.829 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 45.1 mt -58.62 -50.8 72.51 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 119.728 -0.789 . . . . 0.0 111.045 -178.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -73.76 -52.59 12.67 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.433 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.453 ' O ' HG22 ' A' ' 38' ' ' VAL . 78.1 t80 -58.99 -42.64 90.5 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -178.763 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.472 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 5.9 t80 -69.69 -43.1 73.15 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.798 179.46 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -73.43 -22.56 60.17 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.974 0.416 . . . . 0.0 110.787 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.69 -59.19 4.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.995 -179.472 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.523 ' O ' ' N ' ' A' ' 42' ' ' CYS . 2.6 m -66.02 -39.63 85.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.877 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -60.34 -25.43 65.81 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.817 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -54.89 -55.56 29.18 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.224 -179.096 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.7 p -114.18 -5.35 13.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.805 0.336 . . . . 0.0 110.81 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.566 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 1.5 m 45.18 57.21 15.22 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.365 -178.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.566 ' HD3' ' N ' ' A' ' 42' ' ' CYS . 18.4 Cg_exo -65.69 -39.9 19.21 Favored 'Trans proline' 0 C--N 1.308 -1.574 0 C-N-CA 122.408 2.072 . . . . 0.0 112.626 -178.806 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.683 ' CH2' ' CE3' ' A' ' 56' ' ' TRP . 0.5 OUTLIER -80.71 11.27 3.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.605 -179.587 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.561 ' C ' ' H ' ' A' ' 47' ' ' GLN . 3.1 m-85 42.16 51.93 6.56 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.097 -179.608 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 45' ' ' PHE . 6.7 Cg_endo -48.55 -4.7 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.665 0 C-N-CA 123.171 2.58 . . . . 0.0 111.944 179.608 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.561 ' H ' ' C ' ' A' ' 45' ' ' PHE . 87.0 mt-30 -55.16 -53.61 53.8 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.303 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -92.56 -28.43 16.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.871 0.367 . . . . 0.0 110.404 178.704 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 91.54 81.48 1.43 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 -178.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.9 t -144.73 166.71 24.44 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 121.121 -0.231 . . . . 0.0 110.471 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -110.97 139.52 34.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.182 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.646 ' H ' ' HE1' ' A' ' 44' ' ' TRP . 43.9 t0 -139.76 121.68 15.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.991 0.424 . . . . 0.0 110.442 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.414 HG22 ' NH2' ' A' ' 57' ' ' ARG . 33.2 mm -74.84 -40.18 46.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.36 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -63.58 -55.6 22.5 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.64 -178.532 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 85.4 mmt-85 -61.41 -34.27 75.1 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.265 -179.498 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.683 ' CE3' ' CH2' ' A' ' 44' ' ' TRP . 32.4 t-105 -57.65 -41.15 80.9 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.13 0.491 . . . . 0.0 110.578 -179.33 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.414 ' NH2' HG22 ' A' ' 53' ' ' ILE . 94.3 mtm-85 -64.99 -38.48 91.11 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.647 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.498 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 95.1 mtt180 -59.29 -49.12 79.03 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.117 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.5 p -70.32 -35.73 63.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.667 179.393 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -63.91 -44.92 95.35 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -73.08 -40.86 64.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.927 0.394 . . . . 0.0 110.65 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 93.9 m -61.32 -36.07 79.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.698 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -82.26 -41.54 20.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -64.55 -41.04 96.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.471 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.661 ' O ' HG23 ' A' ' 69' ' ' THR . 29.9 t0 -64.24 -51.97 61.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.62 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.463 ' O ' ' OG1' ' A' ' 69' ' ' THR . 64.2 t80 -64.16 -42.66 96.65 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.096 0.474 . . . . 0.0 110.618 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.479 ' CZ ' ' CB ' ' A' ' 72' ' ' PRO . 51.4 t80 -66.09 -38.34 88.0 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.703 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.483 ' O ' ' N ' ' A' ' 71' ' ' GLY . 10.9 m-20 -62.5 -41.13 98.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.177 -179.151 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.661 HG23 ' O ' ' A' ' 65' ' ' ASP . 81.3 p -48.55 -22.44 0.75 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.728 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -88.25 15.09 8.1 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.735 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 40.08 58.09 2.4 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.27 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.519 ' O ' HG23 ' A' ' 75' ' ' VAL . 66.4 Cg_endo -78.74 129.56 9.21 Favored 'Trans proline' 0 C--N 1.308 -1.576 0 C-N-CA 122.752 2.301 . . . . 0.0 112.358 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -88.31 -22.99 23.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.582 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.521 ' O ' ' C ' ' A' ' 75' ' ' VAL . 56.1 mmtt -66.32 -47.16 74.44 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.04 -179.044 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.521 ' C ' ' O ' ' A' ' 74' ' ' LYS . 58.7 t 20.62 79.75 0.16 Allowed Pre-proline 0 N--CA 1.464 0.256 0 O-C-N 124.185 0.928 . . . . 0.0 110.831 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -56.84 125.87 20.4 Favored 'Trans proline' 0 C--N 1.309 -1.536 0 C-N-CA 122.329 2.019 . . . . 0.0 111.768 -178.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.416 HG12 ' O ' ' A' ' 77' ' ' VAL . 86.3 t -83.25 -17.05 11.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.964 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 81.1 p -47.71 -20.81 0.31 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.539 -179.138 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' A' ' 77' ' ' VAL . . . -57.55 -23.6 51.41 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.175 0.512 . . . . 0.0 110.684 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.584 ' CE1' ' ND2' ' A' ' 84' ' ' ASN . 74.1 t80 -69.86 -28.95 66.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.739 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 55.0 m -71.19 -37.81 72.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.505 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.465 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 8.5 m-85 -60.77 -49.29 78.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.557 ' CD1' ' N ' ' A' ' 83' ' ' TRP . 6.1 m0 -60.28 -44.72 95.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 -179.65 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.584 ' ND2' ' CE1' ' A' ' 80' ' ' PHE . 67.0 m-20 -64.14 -43.76 94.25 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-O 120.914 0.388 . . . . 0.0 111.616 -179.593 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 55.7 tp -67.32 -62.36 1.46 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 120.818 0.342 . . . . 0.0 110.968 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.5 mt -54.04 -36.78 32.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.306 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.435 ' CB ' ' O ' ' A' ' 83' ' ' TRP . 50.5 tttt -52.62 -46.2 66.92 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -178.618 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.77 -19.77 44.11 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.568 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.594 HD13 ' O ' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -62.82 -47.47 83.27 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.55 -178.294 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.54 ' O ' ' N ' ' A' ' 92' ' ' LYS . 3.4 mt -63.66 -42.25 95.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.292 -179.336 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -42.39 -18.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.612 -178.143 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.54 ' N ' ' O ' ' A' ' 90' ' ' ILE . 97.1 mttt . . . . . 0 C--N 1.326 -0.413 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.742 178.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MYR . . . . . 0.747 ' H52' ' OE2' ' A' ' 4' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.708 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -58.64 -20.89 51.74 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.073 0.463 . . . . 0.0 110.493 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.747 ' OE2' ' H52' ' A' ' 1' ' ' MYR . 96.8 mt-10 -51.71 -18.43 1.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.622 179.225 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 31.7 tp -40.81 -29.24 0.09 Allowed 'General case' 0 C--O 1.243 0.744 0 CA-C-O 121.559 0.695 . . . . 0.0 110.423 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.4 p -54.21 -27.52 34.92 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.932 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.635 ' OE1' ' H61' ' A' ' 1' ' ' MYR . 73.3 mt-30 -57.87 -46.33 84.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.094 179.202 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.726 ' NE2' ' H92' ' A' ' 1' ' ' MYR . 45.7 m-70 -57.03 -49.31 76.22 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.115 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -49.24 -39.76 31.4 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.271 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 -75.23 -46.03 36.47 Favored 'General case' 0 C--O 1.216 -0.691 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.395 179.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.737 ' CE1' H143 ' A' ' 1' ' ' MYR . 69.2 t80 -54.78 -45.3 74.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.042 0.449 . . . . 0.0 110.381 -179.054 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 30.8 t -61.0 -51.36 74.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 C-N-CA 120.186 -0.606 . . . . 0.0 111.058 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -68.56 -40.69 80.51 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.152 0.501 . . . . 0.0 111.281 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.527 ' O ' ' N ' ' A' ' 17' ' ' GLN . 65.5 tp60 -70.3 -72.41 0.2 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.413 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.516 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -37.89 -49.02 1.2 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 -178.581 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.597 ' HZ2' ' CD1' ' A' ' 31' ' ' LEU . 59.0 mttt -60.01 -41.01 91.21 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.052 -0.659 . . . . 0.0 111.106 179.132 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.527 ' N ' ' O ' ' A' ' 14' ' ' GLN . 46.5 mt-30 -65.97 -58.69 4.96 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-O 121.401 0.62 . . . . 0.0 109.962 179.215 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.667 ' O ' HG22 ' A' ' 21' ' ' THR . . . -52.54 -15.61 0.72 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.087 179.144 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.645 HD22 HG21 ' A' ' 24' ' ' VAL . 3.4 mt -83.97 -50.25 8.2 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.617 178.61 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -45.43 -31.73 1.84 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.035 -179.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.667 HG22 ' O ' ' A' ' 18' ' ' ALA . 2.1 t -60.41 -35.2 75.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.45 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 19' ' ' LEU . 61.0 mtp85 -72.82 -10.47 59.83 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.404 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 105.33 30.05 4.86 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.645 HG21 HD22 ' A' ' 19' ' ' LEU . 13.9 t -105.85 167.68 3.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 116.653 0.227 . . . . 0.0 110.46 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.547 ' N ' HG12 ' A' ' 24' ' ' VAL . 99.4 mttt -117.1 152.4 34.78 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.312 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.724 ' O ' HG23 ' A' ' 26' ' ' VAL . 12.8 m -126.64 102.22 9.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 CA-C-O 121.086 0.469 . . . . 0.0 110.741 -179.439 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.462 ' HG2' ' H ' ' A' ' 28' ' ' TYR . 16.6 ttmt -111.13 162.67 14.68 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.299 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.462 ' H ' ' HG2' ' A' ' 27' ' ' LYS . 90.5 m-85 -57.66 -43.13 84.75 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.253 0.549 . . . . 0.0 110.223 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.79 -20.97 25.27 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.26 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.424 ' HB3' ' HZ3' ' A' ' 16' ' ' LYS . 37.6 t0 -71.51 -41.43 69.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.917 179.658 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.597 ' CD1' ' HZ2' ' A' ' 16' ' ' LYS . 4.4 mp -64.45 -41.16 96.71 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.162 0.506 . . . . 0.0 110.272 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 34.2 mt -59.04 -47.46 85.15 Favored 'General case' 0 C--N 1.31 -1.13 0 C-N-CA 119.64 -0.824 . . . . 0.0 110.971 -178.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -78.16 -52.68 8.35 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.365 -178.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.525 ' O ' HG22 ' A' ' 38' ' ' VAL . 84.0 t80 -58.28 -40.63 82.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.964 0.411 . . . . 0.0 111.748 -178.639 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.431 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 4.4 t80 -72.16 -44.62 62.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.558 179.107 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -70.32 -25.14 63.17 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.914 0.388 . . . . 0.0 111.219 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -65.55 -59.9 3.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.788 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.525 HG22 ' O ' ' A' ' 34' ' ' PHE . 2.6 m -66.98 -40.35 85.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -55.0 -29.83 58.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.703 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -47.0 -62.48 1.39 Allowed 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.654 -0.419 . . . . 0.0 110.893 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.444 ' C ' ' SG ' ' A' ' 42' ' ' CYS . 16.5 p -115.07 5.09 14.83 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.117 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.519 ' N ' ' O ' ' A' ' 38' ' ' VAL . 0.8 OUTLIER 33.93 65.46 1.44 Allowed Pre-proline 0 N--CA 1.464 0.259 0 O-C-N 123.498 0.499 . . . . 0.0 110.314 -178.752 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.574 ' C ' ' H ' ' A' ' 45' ' ' PHE . 23.7 Cg_exo -63.9 -19.56 66.91 Favored 'Trans proline' 0 N--CA 1.494 1.543 0 C-N-CA 122.89 2.393 . . . . 0.0 112.077 -178.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.713 ' CE2' H142 ' A' ' 1' ' ' MYR . 1.2 m-90 -67.96 23.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.011 0.434 . . . . 0.0 110.914 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.574 ' H ' ' C ' ' A' ' 43' ' ' PRO . 0.1 OUTLIER 77.64 92.26 0.05 OUTLIER Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 -179.636 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -54.68 -18.52 15.95 Favored 'Trans proline' 0 C--N 1.304 -1.792 0 C-N-CA 122.355 2.037 . . . . 0.0 112.05 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -83.8 -59.89 2.28 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 119.991 -0.684 . . . . 0.0 111.567 -179.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.521 ' OE2' ' H51' ' A' ' 1' ' ' MYR . 31.1 tp10 -94.16 -27.19 16.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.428 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 45' ' ' PHE . . . 74.02 33.1 57.81 Favored Glycine 0 CA--C 1.538 1.505 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 -178.4 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.571 ' N ' ' O ' ' A' ' 44' ' ' TRP . 10.9 t -94.09 172.77 8.02 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.013 0.435 . . . . 0.0 110.762 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.49 HG23 ' NE1' ' A' ' 44' ' ' TRP . 1.3 mt -83.8 138.71 18.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.298 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -136.81 122.13 19.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.887 0.375 . . . . 0.0 110.608 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 39.6 mm -71.36 -42.49 73.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.437 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -64.14 -51.44 63.91 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.481 0.658 . . . . 0.0 110.719 -179.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -64.99 -35.37 80.99 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.112 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 37.8 t-105 -55.01 -39.32 68.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.182 0.515 . . . . 0.0 110.288 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -66.03 -37.57 86.22 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.106 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.513 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 79.8 ttt-85 -59.3 -50.17 75.0 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.793 -179.44 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.2 p -67.83 -34.29 66.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.459 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -63.39 -50.8 59.64 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.296 -0.722 . . . . 0.0 111.296 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.561 ' OD1' ' N ' ' A' ' 62' ' ' CYS . 3.5 p30 -70.29 -35.11 73.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.75 0.309 . . . . 0.0 110.815 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.561 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 94.4 m -65.76 -38.61 89.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.846 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -79.65 -42.03 25.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.513 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 51.8 tp60 -65.51 -36.89 85.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.628 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.537 ' O ' HG23 ' A' ' 69' ' ' THR . 58.8 t0 -65.53 -55.21 19.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.676 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.478 ' O ' ' OG1' ' A' ' 69' ' ' THR . 7.8 m-85 -64.33 -40.12 95.26 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.093 0.473 . . . . 0.0 110.619 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.419 ' CD1' ' HG3' ' A' ' 72' ' ' PRO . 57.8 t80 -64.11 -41.01 97.41 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.648 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 61.4 m-20 -61.71 -40.75 96.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.207 -179.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.537 HG23 ' O ' ' A' ' 65' ' ' ASP . 71.7 p -50.96 -24.83 3.96 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.951 -0.299 . . . . 0.0 110.564 -179.67 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -85.39 13.6 6.46 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.627 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.408 ' N ' ' HD3' ' A' ' 72' ' ' PRO . . . 40.48 59.68 2.22 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.472 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.441 ' O ' HG23 ' A' ' 75' ' ' VAL . 55.3 Cg_endo -77.96 128.53 9.23 Favored 'Trans proline' 0 C--N 1.308 -1.585 0 C-N-CA 122.81 2.34 . . . . 0.0 111.933 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -87.92 -31.63 19.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.077 0.465 . . . . 0.0 110.9 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.485 ' O ' ' C ' ' A' ' 75' ' ' VAL . 53.0 mmtt -63.27 -46.65 85.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.365 -178.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.485 ' C ' ' O ' ' A' ' 74' ' ' LYS . 96.2 t 25.95 78.52 0.24 Allowed Pre-proline 0 N--CA 1.468 0.431 0 O-C-N 123.663 0.602 . . . . 0.0 111.081 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -55.7 125.82 20.39 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.003 1.802 . . . . 0.0 111.531 -178.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 98.6 t -82.13 -22.1 9.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.944 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 43.9 p -46.93 -26.97 1.11 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.356 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.67 -24.86 58.86 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.277 0.561 . . . . 0.0 110.949 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -64.91 -39.26 93.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.422 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.463 ' CB ' ' HE ' ' A' ' 22' ' ' ARG . 67.2 m -63.13 -38.97 93.29 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.886 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.513 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 5.8 m-85 -57.73 -50.59 72.73 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.691 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.432 ' CE3' ' OD1' ' A' ' 84' ' ' ASN . 36.5 t90 -59.43 -43.07 93.15 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.78 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.432 ' OD1' ' CE3' ' A' ' 83' ' ' TRP . 98.1 m-20 -64.65 -44.01 91.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.294 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 55.2 tp -68.36 -54.13 19.36 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-O 120.816 0.341 . . . . 0.0 110.552 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.1 mt -57.83 -39.6 71.88 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.308 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -51.23 -50.41 59.19 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.674 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.451 ' O ' ' OD1' ' A' ' 91' ' ' ASP . 0.4 OUTLIER -84.23 -17.11 40.87 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 179.879 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 21.7 tp -60.44 -41.03 93.19 Favored 'General case' 0 CA--C 1.51 -0.594 0 CA-C-O 121.072 0.463 . . . . 0.0 110.541 -176.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 92' ' ' LYS . 36.5 mt -61.45 -41.04 88.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.959 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.587 ' OD1' ' N ' ' A' ' 92' ' ' LYS . 0.5 OUTLIER -41.52 -25.01 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.591 -178.279 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.587 ' N ' ' OD1' ' A' ' 91' ' ' ASP . 97.5 mttt -63.69 134.44 55.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.644 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -95.63 -10.5 29.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.618 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -86.36 17.29 3.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.576 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 92' ' ' LYS . 40.8 t -63.86 139.87 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.063 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.456 ' OD1' ' NE2' ' A' ' 7' ' ' GLN . 0.5 OUTLIER -40.03 159.82 0.12 Allowed Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.923 -179.17 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.538 ' O ' ' N ' ' A' ' 99' ' ' VAL . 51.8 Cg_exo -42.4 -20.94 0.16 Allowed 'Trans proline' 0 C--N 1.313 -1.317 0 C-N-CA 122.804 2.336 . . . . 0.0 112.275 179.438 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 96' ' ' ASN . 4.9 pt20 -44.64 -14.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 121.045 -0.262 . . . . 0.0 110.695 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.631 ' O ' HG23 ' A' ' 103' ' ' VAL . 97.3 t -61.67 -46.76 95.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.354 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 96.5 mmm -67.35 -40.17 85.82 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.049 0.452 . . . . 0.0 110.965 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.61 -18.37 56.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.702 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.536 ' O ' ' N ' ' A' ' 104' ' ' ALA . . . -87.19 -42.54 12.9 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.438 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 99' ' ' VAL . 24.3 t -41.83 -20.01 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.609 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 102' ' ' ALA . . . -44.11 -17.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.529 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 103' ' ' VAL . 89.2 mt-30 -56.26 -41.09 75.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.635 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 86.2 m -117.84 129.13 55.47 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.48 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -137.49 148.05 45.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.676 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.91 123.47 19.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.996 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.775 HD12 ' OD2' ' A' ' 117' ' ' ASP . 46.0 pt -66.58 -17.52 22.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.017 -179.295 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.426 ' C ' HD12 ' A' ' 110' ' ' LEU . 1.6 pp -121.44 42.65 3.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.444 -179.181 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 45.8 pttt -65.78 -37.24 85.78 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.627 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 67.1 m -134.89 167.96 19.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.97 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -63.71 -39.72 95.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.537 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 78.3 p -48.39 -32.82 8.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.332 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 27.9 mm100 -51.88 134.47 31.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.077 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.428 ' O ' ' O ' ' A' ' 117' ' ' ASP . 6.4 m -60.74 -43.56 97.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.199 -179.268 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.775 ' OD2' HD12 ' A' ' 109' ' ' ILE . 81.6 m-20 -55.2 -164.7 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.39 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.544 ' N ' HD12 ' A' ' 118' ' ' LEU . 10.4 mp -65.72 144.54 56.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.504 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -61.62 158.84 14.39 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.839 0.352 . . . . 0.0 110.39 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -64.85 -42.08 95.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.527 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -99.57 130.68 45.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.444 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 48.1 p-80 -150.45 164.18 36.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.71 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -133.55 140.65 47.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.71 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -145.18 141.17 28.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.599 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 80.7 t60 . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.543 -179.91 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MYR . . . . . 0.821 H143 ' CZ ' ' A' ' 11' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.7 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -56.86 -23.28 43.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.73 0.3 . . . . 0.0 110.502 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 7' ' ' GLN . 95.8 mt-10 -51.06 -21.89 2.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.581 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 30.2 tp -41.12 -41.81 1.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.594 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.0 p -53.39 -34.0 55.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.596 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.535 ' CG ' ' H81' ' A' ' 1' ' ' MYR . 7.7 tt0 -54.67 -45.04 73.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.629 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.701 ' CE1' ' H62' ' A' ' 1' ' ' MYR . 3.1 m80 -59.41 -49.78 76.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.545 179.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -43.94 -30.52 0.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.558 178.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -81.97 -41.71 20.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.632 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.821 ' CZ ' H143 ' A' ' 1' ' ' MYR . 70.2 t80 -54.46 -49.03 71.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.563 178.614 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.9 t -61.25 -53.6 46.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.556 -179.323 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -64.57 -40.47 95.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.563 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.6 ' O ' ' N ' ' A' ' 17' ' ' GLN . 71.6 tp60 -69.97 -74.12 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.605 -179.105 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.621 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -34.32 -46.86 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.562 179.837 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.541 ' HZ3' ' HG ' ' A' ' 31' ' ' LEU . 11.1 mtpt -62.75 -41.2 99.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.543 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.6 ' N ' ' O ' ' A' ' 14' ' ' GLN . 70.0 mt-30 -67.82 -58.19 5.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.548 178.052 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.702 ' O ' HG22 ' A' ' 21' ' ' THR . . . -50.4 -16.11 0.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.579 178.032 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.504 HD11 ' CZ ' ' A' ' 82' ' ' TYR . 5.2 mt -85.76 -48.96 8.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.59 179.147 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 66.8 tttm -43.79 -33.56 1.33 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.63 179.084 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.702 HG22 ' O ' ' A' ' 18' ' ' ALA . 4.3 t -61.43 -32.55 72.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.588 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 19' ' ' LEU . 94.5 mtt-85 -75.52 -9.31 58.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.5 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 105.86 29.71 4.84 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.513 HG12 ' H ' ' A' ' 25' ' ' LYS . 3.0 t -105.97 168.64 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.805 0.336 . . . . 0.0 110.542 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.513 ' H ' HG12 ' A' ' 24' ' ' VAL . 99.1 mttt -114.24 142.53 46.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.56 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.791 ' O ' HG23 ' A' ' 26' ' ' VAL . 21.6 m -115.97 90.72 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.572 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.469 ' HG2' ' H ' ' A' ' 28' ' ' TYR . 19.5 ttmt -109.37 164.85 12.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.546 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.469 ' H ' ' HG2' ' A' ' 27' ' ' LYS . 96.4 m-85 -64.19 -35.71 81.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.599 179.424 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.12 -21.81 65.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.553 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -74.88 -38.24 61.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.535 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.541 ' HG ' ' HZ3' ' A' ' 16' ' ' LYS . 1.7 mp -61.87 -42.11 98.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.534 179.374 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 43.2 mt -53.93 -55.39 27.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.611 -178.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 37' ' ' PHE . 88.3 tttt -74.62 -50.3 18.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.488 -178.394 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -58.75 -42.03 87.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.566 -177.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.517 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 8.2 t80 -72.17 -46.52 56.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.551 -177.355 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -77.28 -20.46 55.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.529 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.508 ' N ' ' O ' ' A' ' 33' ' ' LYS . 1.6 t80 -61.0 -52.06 66.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.583 -179.288 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.577 ' O ' ' N ' ' A' ' 42' ' ' CYS . 2.4 m -76.48 -35.01 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.525 -179.579 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -63.96 -31.55 72.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.598 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -52.12 -46.04 65.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.601 -179.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.51 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 15.7 p -113.7 -6.12 13.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.579 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.577 ' N ' ' O ' ' A' ' 38' ' ' VAL . 8.5 p 36.85 58.86 3.72 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.52 -179.607 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.469 ' HD3' ' N ' ' A' ' 42' ' ' CYS . 58.9 Cg_endo -80.15 -38.93 0.29 Allowed 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.764 2.31 . . . . 0.0 112.106 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.773 ' HE1' ' H ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -76.47 5.72 6.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.531 -179.447 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.7 ' HB2' ' HB1' ' A' ' 102' ' ' ALA . 28.9 m-85 55.4 53.04 8.49 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.55 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.46 ' CD ' ' N ' ' A' ' 45' ' ' PHE . 5.0 Cg_endo -47.45 -9.36 0.06 OUTLIER 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.806 2.337 . . . . 0.0 112.135 -178.636 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.787 ' O ' ' H42' ' A' ' 1' ' ' MYR . 94.6 mm-40 -62.99 -57.23 11.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.561 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.608 ' O ' ' H71' ' A' ' 1' ' ' MYR . 43.9 tp10 -94.64 -13.54 25.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.547 178.628 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.555 ' O ' ' H91' ' A' ' 1' ' ' MYR . . . 66.99 91.28 0.05 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.467 ' OG1' HG22 ' A' ' 99' ' ' VAL . 15.1 t -139.55 168.66 19.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.838 0.351 . . . . 0.0 110.573 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -120.89 139.42 48.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.58 179.345 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.773 ' H ' ' HE1' ' A' ' 44' ' ' TRP . 51.6 t0 -144.4 121.52 11.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.594 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.4 mm -71.81 -42.22 69.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.537 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.67 -52.76 59.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.619 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 27.2 ttm-85 -63.15 -37.85 88.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.631 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.623 ' CE3' ' CH2' ' A' ' 44' ' ' TRP . 23.4 t-105 -55.39 -37.67 67.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.595 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 75.7 ttt-85 -65.56 -41.49 92.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.6 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.498 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 99.7 mtt180 -57.78 -53.03 62.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.567 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.4 ' H ' HG12 ' A' ' 59' ' ' VAL . 3.0 p -64.48 -39.16 84.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.559 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.02 -48.67 81.79 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -69.18 -35.18 76.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.807 0.336 . . . . 0.0 110.576 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 89.6 m -64.53 -37.32 87.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.562 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -82.0 -41.99 19.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.622 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -64.93 -40.11 94.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.585 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.662 ' O ' HG23 ' A' ' 69' ' ' THR . 61.2 t0 -61.75 -53.52 54.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.554 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.458 ' O ' ' OG1' ' A' ' 69' ' ' THR . 4.7 m-85 -67.25 -38.57 85.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.575 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.427 ' CD1' ' HG3' ' A' ' 72' ' ' PRO . 59.2 t80 -67.4 -39.81 85.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.553 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.419 ' O ' ' N ' ' A' ' 71' ' ' GLY . 62.2 m-20 -62.47 -40.31 96.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.604 -178.647 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.662 HG23 ' O ' ' A' ' 65' ' ' ASP . 77.4 p -50.88 -21.54 1.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.616 -178.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -89.57 14.69 10.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.548 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.433 ' N ' ' HD3' ' A' ' 72' ' ' PRO . . . 40.89 58.99 2.55 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.433 ' HD3' ' N ' ' A' ' 71' ' ' GLY . 56.8 Cg_endo -78.15 127.69 8.57 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.786 2.324 . . . . 0.0 112.107 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -88.61 -18.98 26.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.591 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.532 ' O ' ' C ' ' A' ' 75' ' ' VAL . 51.1 mmtt -73.23 -48.25 36.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.521 -179.074 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.532 ' C ' ' O ' ' A' ' 74' ' ' LYS . 89.6 t 28.71 79.23 0.25 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.481 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -55.24 123.94 15.05 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.797 2.331 . . . . 0.0 112.141 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 77.5 t -81.06 -17.14 12.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.595 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 69.3 p -45.72 -31.32 1.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.536 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.67 -30.33 63.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.549 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -68.94 -35.48 76.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.538 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.7 m -63.73 -40.55 97.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.554 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.504 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 19.8 m-85 -58.83 -48.91 79.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.536 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.501 ' C ' ' CD1' ' A' ' 83' ' ' TRP . 9.0 t-105 -55.61 -49.95 71.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.566 -178.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -64.43 -43.04 95.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.554 -178.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 64.6 tp -66.86 -67.51 0.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.585 -178.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -49.77 -35.1 9.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.513 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 45.8 tttt -53.54 -44.46 69.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.58 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.488 ' O ' ' OD2' ' A' ' 91' ' ' ASP . 0.6 OUTLIER -83.5 -18.98 36.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.583 -177.669 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.635 HD13 ' O ' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -64.58 -41.98 95.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.538 -178.592 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 6.3 mt -62.64 -45.11 99.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.548 -178.055 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.548 ' OD2' ' C ' ' A' ' 91' ' ' ASP . 17.9 p30 -78.27 -5.84 53.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.58 -178.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -63.02 -47.9 81.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.578 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -128.57 174.14 9.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.558 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.523 ' O ' ' O ' ' A' ' 95' ' ' VAL . 57.3 mp0 -82.48 16.66 2.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.576 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.567 ' C ' HD21 ' A' ' 96' ' ' ASN . 35.9 m 35.17 -159.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.579 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.567 HD21 ' C ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -152.45 162.57 26.15 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.613 -179.63 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.619 ' O ' ' N ' ' A' ' 99' ' ' VAL . 6.5 Cg_endo -47.95 -19.95 1.81 Allowed 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.808 2.339 . . . . 0.0 112.131 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 97' ' ' PRO . 9.1 pt20 -37.83 -20.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.543 178.535 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.619 ' N ' ' O ' ' A' ' 97' ' ' PRO . 85.8 t -64.59 -43.29 96.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.571 179.1 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.466 ' N ' ' O ' ' A' ' 97' ' ' PRO . 64.3 mtt -71.07 -39.23 72.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.545 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.549 ' HB3' ' HG2' ' A' ' 48' ' ' GLU . . . -63.59 -21.54 66.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.591 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.7 ' HB1' ' HB2' ' A' ' 45' ' ' PHE . . . -66.97 -38.06 85.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.573 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 70.9 t -56.31 -41.83 72.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.589 178.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.55 ' O ' ' N ' ' A' ' 106' ' ' THR . . . -54.14 -26.79 29.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.54 179.259 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 56.61 -78.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.607 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.55 ' N ' ' O ' ' A' ' 104' ' ' ALA . 47.8 p -126.4 -162.36 1.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.601 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 55.4 167.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.52 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -87.9 126.06 34.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.634 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 42.8 pt -51.03 -23.38 2.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.625 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 95.5 mt -64.29 -36.91 85.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.583 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -68.3 -32.14 72.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.502 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 58.3 m -58.29 -46.75 85.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.528 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -64.2 -45.67 87.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.526 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 96.7 p -160.79 152.76 19.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.561 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -100.01 11.97 38.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.545 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.3 m -63.35 -43.0 98.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.564 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -64.33 -44.94 89.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.543 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 73.3 mt -122.49 75.24 1.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.558 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.0 tp10 -87.57 139.08 30.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.602 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -66.24 -39.48 89.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.596 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -113.86 129.47 56.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.548 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -62.01 -44.33 96.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.553 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 47.7 m80 -101.82 127.54 48.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.564 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -65.26 -42.51 93.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.557 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 117.928 -1.034 . . . . 0.0 110.491 -180.0 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MYR . . . . . 0.851 H142 ' CE2' ' A' ' 44' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.633 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -54.24 -22.12 10.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.976 0.417 . . . . 0.0 110.511 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.452 ' OE1' ' OE1' ' A' ' 7' ' ' GLN . 37.1 tp10 -49.11 -19.56 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.207 0.527 . . . . 0.0 110.361 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.7 tp -42.75 -36.87 1.58 Allowed 'General case' 0 C--O 1.243 0.719 0 CA-C-O 121.27 0.557 . . . . 0.0 110.498 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.3 p -55.02 -33.36 62.56 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.899 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.452 ' OE1' ' OE1' ' A' ' 4' ' ' GLU . 60.5 tt0 -56.28 -41.99 76.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.096 179.349 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -57.71 -49.93 74.89 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -49.9 -32.88 15.67 Favored 'General case' 0 C--O 1.243 0.752 0 CA-C-O 121.608 0.718 . . . . 0.0 109.965 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -80.29 -49.19 11.91 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.799 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.841 ' CE1' H143 ' A' ' 1' ' ' MYR . 79.6 t80 -51.28 -41.76 60.65 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -179.601 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.7 t -59.9 -57.62 10.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.918 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.08 -41.41 97.32 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.784 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.599 ' O ' ' N ' ' A' ' 17' ' ' GLN . 68.1 tp60 -67.31 -74.9 0.1 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.637 -179.259 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.696 HD23 ' CE2' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -36.16 -44.94 0.42 Allowed 'General case' 0 C--O 1.233 0.223 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 -178.658 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -61.12 -42.93 99.43 Favored 'General case' 0 C--N 1.315 -0.892 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.889 178.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.599 ' N ' ' O ' ' A' ' 14' ' ' GLN . 67.6 mm-40 -65.0 -59.15 4.47 Favored 'General case' 0 C--O 1.239 0.548 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.693 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.689 ' O ' HG22 ' A' ' 21' ' ' THR . . . -49.58 -16.8 0.25 Allowed 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.833 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.658 HD22 HG21 ' A' ' 24' ' ' VAL . 3.4 mt -86.64 -48.39 8.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.675 178.67 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 66.7 tttm -42.76 -33.69 0.79 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.48 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.689 HG22 ' O ' ' A' ' 18' ' ' ALA . 6.5 t -63.48 -33.23 75.11 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.74 179.617 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 19' ' ' LEU . 16.9 mmm-85 -71.67 -11.39 60.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.434 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.56 25.52 5.97 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.658 HG21 HD22 ' A' ' 19' ' ' LEU . 16.7 t -104.43 169.49 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.612 0.244 . . . . 0.0 110.686 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.605 ' N ' HG12 ' A' ' 24' ' ' VAL . 82.0 tttt -111.81 154.17 25.5 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.379 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.773 ' O ' HG23 ' A' ' 26' ' ' VAL . 19.4 m -132.89 86.69 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 121.233 0.54 . . . . 0.0 110.727 -179.635 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.52 ' HD2' ' HB3' ' A' ' 29' ' ' ALA . 46.4 pttt -108.76 166.83 10.51 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.23 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.423 ' CE2' HD21 ' A' ' 32' ' ' LEU . 93.8 t80 -61.52 -40.25 93.95 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.011 0.434 . . . . 0.0 110.266 179.485 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.52 ' HB3' ' HD2' ' A' ' 27' ' ' LYS . . . -57.93 -23.34 53.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.69 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.467 ' HB2' ' O ' ' A' ' 27' ' ' LYS . 55.9 m-20 -72.86 -44.93 60.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.003 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.45 ' O ' ' CB ' ' A' ' 35' ' ' PHE . 3.3 mp -57.82 -42.63 84.71 Favored 'General case' 0 C--O 1.214 -0.782 0 C-N-CA 120.658 -0.417 . . . . 0.0 109.957 -179.23 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.423 HD21 ' CE2' ' A' ' 28' ' ' TYR . 43.9 mt -49.7 -58.21 5.76 Favored 'General case' 0 C--N 1.31 -1.145 0 C-N-CA 119.925 -0.71 . . . . 0.0 111.389 -179.52 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 37' ' ' PHE . 87.5 tttt -69.23 -54.36 15.14 Favored 'General case' 0 C--O 1.219 -0.526 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.866 -179.053 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.55 ' O ' HG22 ' A' ' 38' ' ' VAL . 0.7 OUTLIER -57.82 -40.98 81.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.052 0.453 . . . . 0.0 112.051 -178.393 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.45 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 9.3 t80 -70.64 -48.36 55.39 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.638 -179.516 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -75.49 -19.46 59.38 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.25 0.547 . . . . 0.0 110.679 -179.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 33' ' ' LYS . 11.7 t80 -65.89 -56.12 13.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.26 -178.528 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 34' ' ' PHE . 2.7 m -73.23 -32.32 37.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.895 179.554 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.483 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 86.3 tttt -60.15 -31.29 69.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.445 -179.266 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -43.06 -60.18 1.74 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.715 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 59.4 p -114.8 1.59 14.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.49 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 12.7 m 38.07 62.32 4.12 Favored Pre-proline 0 C--N 1.333 -0.148 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.648 -178.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.617 ' C ' ' H ' ' A' ' 45' ' ' PHE . 38.2 Cg_exo -60.79 -22.16 72.63 Favored 'Trans proline' 0 C--N 1.309 -1.522 0 C-N-CA 122.801 2.334 . . . . 0.0 112.087 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.851 ' CE2' H142 ' A' ' 1' ' ' MYR . 1.2 m-90 -65.73 25.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.117 0.484 . . . . 0.0 110.853 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.617 ' H ' ' C ' ' A' ' 43' ' ' PRO . 0.3 OUTLIER 62.48 97.02 0.04 OUTLIER Pre-proline 0 N--CA 1.445 -0.699 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 179.873 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -68.75 -7.13 19.7 Favored 'Trans proline' 0 N--CA 1.495 1.575 0 C-N-CA 122.596 2.197 . . . . 0.0 112.545 -177.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -84.62 -60.33 2.1 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.938 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.499 ' O ' ' H41' ' A' ' 1' ' ' MYR . 25.8 tp10 -94.73 -21.21 18.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.241 179.011 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.61 64.66 3.19 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 -178.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.3 t -132.05 171.89 13.05 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.943 0.401 . . . . 0.0 110.939 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.499 HG23 ' CE2' ' A' ' 44' ' ' TRP . 1.1 mt -84.37 138.59 18.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.159 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.424 ' OD2' ' C ' ' A' ' 52' ' ' ASP . 56.0 t0 -138.07 123.16 19.15 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.317 0.579 . . . . 0.0 110.565 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.5 mm -72.68 -40.06 61.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.202 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -62.71 -55.3 28.05 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.094 -178.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -64.56 -33.72 76.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.54 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 34.4 t-105 -57.42 -40.07 77.57 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.312 0.577 . . . . 0.0 110.573 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -66.49 -37.45 85.11 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.281 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.502 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 58.8 ttt85 -61.0 -50.06 74.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.018 -179.579 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.405 HG13 ' N ' ' A' ' 60' ' ' GLY . 3.1 p -65.48 -41.41 90.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.719 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.405 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -63.08 -48.88 76.42 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -68.01 -37.48 81.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.889 0.376 . . . . 0.0 110.624 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 65.8 m -63.38 -38.25 90.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -81.84 -41.34 21.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.924 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 61.9 tp60 -66.15 -38.29 87.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.584 -179.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.467 ' O ' HG23 ' A' ' 69' ' ' THR . 24.7 t0 -66.31 -50.97 61.82 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.604 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.438 ' O ' ' OG1' ' A' ' 69' ' ' THR . 58.0 t80 -66.33 -38.5 87.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.6 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.416 ' CE1' ' CG ' ' A' ' 72' ' ' PRO . 56.3 t80 -67.48 -37.58 83.09 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.606 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.492 ' O ' ' N ' ' A' ' 71' ' ' GLY . 90.5 m-20 -61.74 -40.75 96.18 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.082 -178.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.467 HG23 ' O ' ' A' ' 65' ' ' ASP . 80.9 p -47.61 -21.26 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.33 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -90.27 15.79 9.82 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.713 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 38.91 59.07 1.77 Allowed Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.766 -0.933 . . . . 0.0 110.766 -178.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.496 ' O ' HG23 ' A' ' 75' ' ' VAL . 59.7 Cg_endo -79.54 128.72 8.01 Favored 'Trans proline' 0 C--N 1.308 -1.602 0 C-N-CA 122.739 2.293 . . . . 0.0 112.443 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -87.87 -24.54 23.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.709 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.499 ' O ' ' C ' ' A' ' 75' ' ' VAL . 53.9 mmtt -66.24 -47.55 73.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.696 -178.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.499 ' C ' ' O ' ' A' ' 74' ' ' LYS . 74.0 t 27.48 80.29 0.22 Allowed Pre-proline 0 N--CA 1.463 0.205 0 O-C-N 123.944 0.777 . . . . 0.0 110.662 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.47 125.14 17.95 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.332 2.021 . . . . 0.0 111.516 -179.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.0 t -80.82 -20.76 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.8 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 65.5 p -45.62 -29.85 1.34 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.098 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.36 -33.01 70.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.076 0.465 . . . . 0.0 110.697 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -72.82 -35.1 67.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.244 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 69.1 p -68.95 -39.74 79.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.717 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.582 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 2.9 m-85 -61.38 -46.28 90.85 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.626 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 29.4 t90 -58.36 -44.21 88.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.126 -179.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -63.19 -44.93 93.98 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.273 -179.181 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.4 HD23 HD11 ' A' ' 15' ' ' LEU . 60.0 tp -68.17 -48.46 65.24 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-O 121.173 0.511 . . . . 0.0 110.841 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -62.41 -38.28 80.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.182 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 35.6 tttt -53.61 -45.63 70.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.788 -178.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.29 -19.09 47.48 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.236 -179.338 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.609 HD13 ' O ' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -61.75 -42.85 99.5 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.402 -177.769 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.7 mt -61.53 -42.95 95.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.227 -179.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -64.97 -10.06 26.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.429 -178.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.594 ' O ' HG13 ' A' ' 95' ' ' VAL . 72.0 tttt -68.11 133.95 49.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.611 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 95' ' ' VAL . 55.2 tttm -63.98 -29.43 70.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.614 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -67.98 55.17 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.925 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.594 HG13 ' O ' ' A' ' 92' ' ' LYS . 4.2 m -110.57 129.52 65.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 121.096 0.474 . . . . 0.0 110.443 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.427 ' O ' ' N ' ' A' ' 98' ' ' GLN . 0.7 OUTLIER -69.24 162.45 65.83 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.771 -179.476 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.544 ' O ' ' N ' ' A' ' 99' ' ' VAL . 71.4 Cg_exo -41.7 -23.18 0.21 Allowed 'Trans proline' 0 C--N 1.309 -1.544 0 C-N-CA 122.842 2.361 . . . . 0.0 111.94 179.311 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 102' ' ' ALA . 0.9 OUTLIER -44.27 -15.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.319 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.544 ' N ' ' O ' ' A' ' 97' ' ' PRO . 92.2 t -62.2 -46.13 97.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.745 0.307 . . . . 0.0 110.389 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 54.9 ttp -66.03 -36.18 82.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.421 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -83.64 -19.18 35.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.8 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 98' ' ' GLN . . . -69.83 -49.97 47.41 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.889 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.53 ' O ' HG23 ' A' ' 106' ' ' THR . 32.3 t -62.13 -43.08 97.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.116 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -39.67 -45.9 1.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.597 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.536 ' O ' ' CZ ' ' A' ' 45' ' ' PHE . 95.3 mm-40 -106.91 86.27 2.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.693 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.53 HG23 ' O ' ' A' ' 103' ' ' VAL . 3.8 p -115.58 -12.54 11.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.69 179.665 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -75.61 179.94 5.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.276 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.409 ' O ' ' OE1' ' A' ' 115' ' ' GLN . 79.1 mm-40 -111.02 122.64 48.42 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.292 179.591 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 35.7 pt -52.13 -30.5 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.708 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 112' ' ' SER . 57.8 mt -65.38 -34.12 77.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.45 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 110' ' ' LEU . 87.8 tttt -35.16 92.98 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.559 -179.506 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 110' ' ' LEU . 73.8 p -73.97 -11.07 60.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.784 -179.584 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -62.23 -41.27 98.26 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.576 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.7 t 178.8 90.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.409 ' OE1' ' O ' ' A' ' 108' ' ' GLU . 10.6 tt0 -174.16 -149.2 0.04 OUTLIER 'General case' 0 C--O 1.226 -0.15 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.674 179.412 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.402 ' H ' ' HG2' ' A' ' 115' ' ' GLN . 11.7 m -59.99 -43.88 94.87 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.699 -179.508 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -59.21 -45.6 90.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.39 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 54.1 tp -168.32 89.27 0.25 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.454 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.502 ' C ' ' H ' ' A' ' 121' ' ' HIS . 71.2 mm-40 -46.38 -23.85 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.341 . . . . 0.0 110.592 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 56.63 3.93 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.712 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.502 ' H ' ' C ' ' A' ' 119' ' ' GLU . 39.1 m80 -113.83 125.66 54.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.477 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 81.0 m80 -116.08 131.8 56.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.615 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 53.8 m80 -64.84 -42.7 94.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.534 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 71.0 m80 -67.68 -37.41 82.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.634 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.44 ' OXT' ' ND1' ' A' ' 125' ' ' HIS . 55.7 t-80 . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.569 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MYR . . . . . 0.688 H143 ' CE2' ' A' ' 11' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.637 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.463 ' C ' ' N ' ' A' ' 5' ' ' LEU . 49.1 tt0 -48.06 -23.11 0.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.79 0.328 . . . . 0.0 110.563 179.431 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.623 ' OE2' ' H52' ' A' ' 1' ' ' MYR . 75.3 tt0 -44.38 -19.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.566 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.463 ' N ' ' C ' ' A' ' 3' ' ' GLN . 56.6 tp -43.94 -32.56 1.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.583 179.532 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.6 p -51.74 -33.64 35.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.555 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -53.82 -46.49 71.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.581 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -54.51 -49.29 70.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.537 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -47.73 -34.65 8.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.555 178.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 41.6 mtm180 -81.54 -45.41 15.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.564 179.124 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.764 ' CE1' HD23 ' A' ' 15' ' ' LEU . 85.6 t80 -52.51 -43.85 65.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.647 179.032 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.46 HG13 ' NZ ' ' A' ' 16' ' ' LYS . 11.5 t -60.07 -54.79 29.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.563 -179.357 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -65.38 -36.33 83.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.583 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.585 ' O ' ' N ' ' A' ' 17' ' ' GLN . 66.9 tp60 -72.78 -73.29 0.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.58 -179.524 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.764 HD23 ' CE1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -34.5 -46.69 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.594 179.796 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.46 ' NZ ' HG13 ' A' ' 12' ' ' VAL . 54.5 mttp -62.92 -41.63 99.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.527 179.654 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.585 ' N ' ' O ' ' A' ' 14' ' ' GLN . 66.4 mt-30 -65.98 -57.4 7.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.549 177.7 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.747 ' O ' HG22 ' A' ' 21' ' ' THR . . . -52.77 -15.74 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.558 178.015 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.529 HD22 HG21 ' A' ' 24' ' ' VAL . 5.4 mt -86.92 -48.85 7.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.547 179.185 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -44.49 -34.47 2.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.571 179.105 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.747 HG22 ' O ' ' A' ' 18' ' ' ALA . 6.5 t -63.91 -29.38 70.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.518 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 19' ' ' LEU . 26.5 mmt-85 -77.22 -8.37 57.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.578 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 106.76 23.62 7.06 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.577 HG12 ' H ' ' A' ' 25' ' ' LYS . 5.7 t -102.01 169.91 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.731 0.301 . . . . 0.0 110.621 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.577 ' H ' HG12 ' A' ' 24' ' ' VAL . 61.4 mttp -114.38 144.18 43.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.544 178.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.798 ' O ' HG23 ' A' ' 26' ' ' VAL . 18.1 m -117.73 88.43 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.572 -179.481 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.514 ' HG2' ' H ' ' A' ' 28' ' ' TYR . 15.6 ttmt -109.35 165.36 11.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.572 179.469 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.514 ' H ' ' HG2' ' A' ' 27' ' ' LYS . 93.5 m-85 -56.93 -41.4 78.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.574 179.268 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.84 -20.71 6.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.579 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.428 ' HB2' ' O ' ' A' ' 27' ' ' LYS . 76.5 m-20 -72.75 -41.13 65.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.586 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.531 ' O ' ' CB ' ' A' ' 35' ' ' PHE . 4.0 mp -63.99 -41.55 97.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.553 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.2 mt -55.92 -53.78 52.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.522 -178.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 37' ' ' PHE . 87.8 tttt -77.64 -49.55 14.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.575 -177.398 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -60.18 -39.92 88.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.582 -177.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.531 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 11.2 t80 -74.45 -47.31 34.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.496 -177.551 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -75.8 -19.87 58.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.629 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.465 ' N ' ' O ' ' A' ' 33' ' ' LYS . 3.0 t80 -60.63 -52.07 66.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.586 -179.341 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.549 ' O ' ' N ' ' A' ' 42' ' ' CYS . 0.3 OUTLIER -77.89 -35.0 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.55 179.796 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 40' ' ' ASP . 75.6 tttt -54.19 -36.58 63.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.601 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 39' ' ' LYS . 66.6 t0 -39.49 -60.42 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.543 -179.372 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 42' ' ' CYS . 2.2 p -111.15 -6.5 14.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.509 -179.612 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.607 ' SG ' ' O ' ' A' ' 42' ' ' CYS . 16.8 p 36.45 60.31 3.34 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.571 -178.796 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.525 ' C ' ' H ' ' A' ' 45' ' ' PHE . 55.2 Cg_endo -79.94 -8.04 14.36 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.905 2.403 . . . . 0.0 112.112 -179.131 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.582 ' CE2' H141 ' A' ' 1' ' ' MYR . 0.4 OUTLIER -71.86 20.61 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.501 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.576 ' O ' ' N ' ' A' ' 49' ' ' GLY . 2.4 m-85 56.05 82.08 0.25 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.619 179.332 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -49.41 -24.32 8.63 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.846 2.364 . . . . 0.0 112.102 -177.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.491 ' O ' ' H41' ' A' ' 1' ' ' MYR . 75.9 mt-30 -84.39 -51.84 6.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.567 -178.345 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.564 ' O ' ' H51' ' A' ' 1' ' ' MYR . 0.5 OUTLIER -88.45 -12.24 43.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.596 -178.683 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.648 ' O ' ' H71' ' A' ' 1' ' ' MYR . . . 39.59 28.74 0.13 Allowed Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -178.388 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.417 HG22 ' HB3' ' A' ' 48' ' ' GLU . 8.8 t -91.0 169.85 10.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.775 0.322 . . . . 0.0 110.56 -179.043 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.465 ' HB ' HD11 ' A' ' 90' ' ' ILE . 0.9 OUTLIER -101.61 141.16 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.611 178.159 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -135.16 123.68 23.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.522 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.8 mm -72.03 -40.74 67.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.534 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -61.9 -59.58 4.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.531 -178.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -62.69 -31.03 71.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.601 -179.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 23.9 t-105 -58.59 -40.76 84.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.524 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 90.5 mtm180 -66.79 -33.39 75.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.59 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.526 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 78.4 ttt-85 -62.33 -53.4 55.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.522 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 p -64.47 -40.51 89.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.602 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -60.67 -48.77 84.58 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -71.0 -39.11 72.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.744 0.306 . . . . 0.0 110.525 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.526 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 97.3 m -63.42 -37.62 87.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.543 -178.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -82.37 -42.41 18.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.522 -179.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -65.41 -36.84 85.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.592 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.796 ' O ' HG23 ' A' ' 69' ' ' THR . 14.7 t70 -64.67 -54.39 32.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.552 -179.559 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.414 ' O ' ' OG1' ' A' ' 69' ' ' THR . 22.9 m-85 -69.21 -41.28 77.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.535 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.462 ' O ' ' N ' ' A' ' 71' ' ' GLY . 51.6 t80 -62.07 -46.75 87.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.518 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 61.4 t-20 -64.43 -38.94 92.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.584 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.796 HG23 ' O ' ' A' ' 65' ' ' ASP . 39.9 p -63.58 -32.94 74.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.621 -179.485 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -110.97 11.43 22.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.601 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 67' ' ' TYR . . . -130.94 -156.82 8.68 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -79.82 159.35 24.6 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.817 2.345 . . . . 0.0 112.117 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -80.79 -26.19 37.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.557 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.469 ' O ' ' O ' ' A' ' 75' ' ' VAL . 21.9 mtpt -62.3 -46.98 86.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.55 179.595 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.469 ' O ' ' O ' ' A' ' 74' ' ' LYS . 26.9 t 59.1 131.55 0.02 OUTLIER Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.508 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -50.24 123.5 11.2 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.83 2.353 . . . . 0.0 112.107 178.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 65.3 t -82.71 -25.06 8.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.531 -179.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.418 ' H ' HG23 ' A' ' 78' ' ' THR . 17.1 p -47.89 -27.34 2.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.6 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.84 -23.19 60.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.6 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -70.6 -34.76 72.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.572 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 41.2 m -70.15 -40.75 74.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.548 -179.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.519 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 2.8 m-85 -58.45 -50.01 75.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.581 -179.403 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 18.9 t90 -59.55 -41.7 90.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.538 -179.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -65.73 -42.82 90.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.508 -178.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.441 HD12 ' OE2' ' A' ' 88' ' ' GLU . 57.0 tp -71.06 -42.18 69.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.563 -177.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -69.83 -34.47 60.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.583 179.044 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 40.5 tttt -57.96 -38.17 75.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.574 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.441 ' OE2' HD12 ' A' ' 85' ' ' LEU . 12.8 pt-20 -87.17 -22.83 25.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.618 -178.54 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.632 HD13 ' O ' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -58.89 -45.72 89.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.525 -178.405 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.465 HD11 ' HB ' ' A' ' 51' ' ' ILE . 9.8 mt -61.99 -43.02 97.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.548 -179.201 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -60.62 -35.48 76.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.598 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -66.96 145.34 55.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.602 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -70.02 -2.01 11.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.528 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 69.4 tt0 -76.69 55.58 1.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.549 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 8.5 m -115.99 134.44 59.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.568 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.53 ' O ' ' N ' ' A' ' 98' ' ' GLN . 0.0 OUTLIER -67.09 166.22 21.61 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.561 -179.63 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.513 ' O ' ' N ' ' A' ' 99' ' ' VAL . 77.7 Cg_exo -41.65 -16.86 0.06 OUTLIER 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.725 2.284 . . . . 0.0 112.165 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.53 ' N ' ' O ' ' A' ' 96' ' ' ASN . 6.4 pt20 -46.2 -13.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.577 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.513 ' N ' ' O ' ' A' ' 97' ' ' PRO . 97.7 t -59.47 -48.63 86.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.604 -179.656 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 54.5 mtt -65.65 -44.22 87.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.546 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.476 ' O ' ' CG ' ' A' ' 48' ' ' GLU . . . -74.96 -18.21 60.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.554 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.511 ' HB2' ' O ' ' A' ' 98' ' ' GLN . . . -73.71 -41.19 62.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.539 -178.527 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 30.1 t -45.32 -34.39 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.516 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.71 -33.73 64.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.538 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -63.3 -44.51 94.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.594 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 36.3 p -66.89 -31.59 72.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.576 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -86.57 152.54 22.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.566 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -71.83 124.59 25.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.542 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 44.0 pt -53.57 -22.82 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.543 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.12 -41.88 94.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.596 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -68.16 -38.61 82.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.561 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 87.6 p -54.58 -48.46 72.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.606 -179.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -61.16 -44.65 96.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.576 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 44.4 p -163.36 155.69 18.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.577 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -99.43 9.52 43.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.565 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 40.3 p -58.5 -43.77 89.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.578 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -60.06 -48.49 81.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.538 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 89.8 mt -128.7 75.33 1.63 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.593 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -83.77 92.19 7.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.621 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 64.8 m80 -63.47 -45.83 89.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.547 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -102.64 121.02 41.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.531 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 53.0 m80 -58.99 -46.45 88.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.56 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 71.8 m-70 -118.87 142.13 48.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.501 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 68.9 m80 -65.86 -43.26 88.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.616 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 39.2 t-80 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.039 -0.982 . . . . 0.0 110.538 179.898 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MYR . . . . . 0.643 H122 ' CD1' ' A' ' 11' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.644 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.493 ' O ' ' N ' ' A' ' 5' ' ' LEU . 86.4 mt-30 -66.06 -34.15 77.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.81 0.338 . . . . 0.0 110.553 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -42.08 -22.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.556 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 3' ' ' GLN . 28.9 tp -46.5 -33.83 4.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.581 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.4 p -56.2 -34.5 66.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.561 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -57.26 -41.99 80.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.601 179.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -59.35 -50.4 74.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.572 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -49.46 -34.72 17.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.578 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -77.29 -52.27 9.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.551 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.643 ' CD1' H122 ' A' ' 1' ' ' MYR . 68.3 t80 -49.57 -43.81 46.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.593 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.5 t -59.62 -57.75 10.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.637 -178.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.6 -43.63 84.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.575 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.638 ' O ' ' N ' ' A' ' 17' ' ' GLN . 65.8 tp60 -63.83 -78.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.566 -179.251 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.624 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -32.2 -42.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.59 179.645 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.816 ' HZ1' ' HG ' ' A' ' 31' ' ' LEU . 66.0 mttt -63.71 -43.03 97.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.539 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.638 ' N ' ' O ' ' A' ' 14' ' ' GLN . 71.1 mt-30 -60.1 -58.32 9.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.53 178.636 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.493 ' O ' ' CG2' ' A' ' 21' ' ' THR . . . -52.57 -16.7 0.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.554 178.331 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.597 HD22 HG21 ' A' ' 24' ' ' VAL . 5.8 mt -90.36 -49.7 6.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.606 178.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 19' ' ' LEU . 64.0 tttm -38.02 -42.77 0.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.597 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.493 ' CG2' ' O ' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -55.58 -37.55 68.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.613 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.545 ' N ' ' O ' ' A' ' 19' ' ' LEU . 75.4 mmt-85 -69.0 -9.77 54.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.497 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.32 29.53 4.2 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.597 HG21 HD22 ' A' ' 19' ' ' LEU . 3.5 t -104.61 169.8 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.867 0.365 . . . . 0.0 110.574 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.554 ' H ' HG12 ' A' ' 24' ' ' VAL . 67.7 mmtt -112.14 148.36 34.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.565 179.364 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.4 m -120.69 17.21 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.586 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.533 ' NZ ' ' OD2' ' A' ' 30' ' ' ASP . 19.0 pttp -52.43 164.59 0.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.552 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -60.56 -34.44 74.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.542 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.496 ' HB3' ' HD2' ' A' ' 27' ' ' LYS . . . -58.85 -22.17 58.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.577 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.533 ' OD2' ' NZ ' ' A' ' 27' ' ' LYS . 81.3 m-20 -72.04 -42.92 65.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.564 -179.406 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.816 ' HG ' ' HZ1' ' A' ' 16' ' ' LYS . 4.6 mp -61.34 -43.59 98.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.563 -179.281 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 51.4 mt -48.6 -67.27 0.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.555 -178.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.536 ' O ' ' N ' ' A' ' 37' ' ' PHE . 88.8 tttt -69.4 -49.13 58.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.585 -177.58 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.44 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 59.1 t80 -57.82 -42.82 85.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.656 -176.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.529 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 17.1 t80 -71.1 -47.38 58.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.585 -177.55 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -76.86 -19.92 56.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.566 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.536 ' N ' ' O ' ' A' ' 33' ' ' LYS . 3.5 t80 -63.2 -51.99 64.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.601 -178.781 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.537 ' O ' ' N ' ' A' ' 42' ' ' CYS . 3.3 m -75.1 -37.64 40.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.561 -179.399 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 40' ' ' ASP . 50.0 tttp -60.1 -38.98 84.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.498 -179.158 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 39' ' ' LYS . 94.0 m-20 -39.24 -52.14 1.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.514 -179.613 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.463 ' O ' ' C ' ' A' ' 42' ' ' CYS . 17.9 p -113.88 -4.21 13.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.531 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.537 ' N ' ' O ' ' A' ' 38' ' ' VAL . 6.9 p 35.04 60.52 2.41 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.619 -179.565 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.407 ' HD3' ' N ' ' A' ' 42' ' ' CYS . 57.9 Cg_endo -78.25 -35.89 1.14 Allowed 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.865 2.377 . . . . 0.0 112.141 -179.35 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.594 ' HE1' ' H ' ' A' ' 52' ' ' ASP . 0.1 OUTLIER -77.6 3.21 14.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.586 -179.47 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.697 ' CB ' ' HB1' ' A' ' 102' ' ' ALA . 60.9 m-85 55.33 50.31 5.82 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.519 -179.338 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 45' ' ' PHE . 6.4 Cg_endo -48.09 -6.29 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.821 2.347 . . . . 0.0 112.064 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.528 ' H ' ' C ' ' A' ' 45' ' ' PHE . 98.5 mm-40 -62.93 -56.24 18.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.502 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.67 ' HG2' ' HB3' ' A' ' 101' ' ' ALA . 51.2 tp10 -92.78 -30.2 15.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.518 179.374 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.53 87.12 1.37 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.8 t -142.68 166.64 24.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.782 0.325 . . . . 0.0 110.595 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.428 ' O ' ' OD2' ' A' ' 52' ' ' ASP . 0.3 OUTLIER -117.56 136.9 53.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.595 179.617 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.594 ' H ' ' HE1' ' A' ' 44' ' ' TRP . 96.3 m-20 -139.85 122.01 15.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.554 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 30.0 mm -75.68 -39.97 39.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.574 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -64.55 -53.38 48.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.607 -178.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.47 ' CZ ' ' CZ ' ' A' ' 45' ' ' PHE . 78.8 mtp85 -64.13 -33.82 76.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.567 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.584 ' CE3' ' CH2' ' A' ' 44' ' ' TRP . 13.4 t-105 -58.38 -37.41 75.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.62 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 71.4 ttp85 -66.97 -39.79 87.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.637 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.486 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 94.4 mtt-85 -57.33 -52.26 66.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.52 -179.603 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.8 p -66.25 -33.02 60.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.555 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.06 -46.13 82.73 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -75.92 -34.27 59.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.829 0.347 . . . . 0.0 110.552 -179.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.486 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 91.4 m -65.58 -38.86 90.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.564 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -82.17 -40.46 21.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.533 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -66.12 -35.99 81.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.545 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.815 ' O ' HG23 ' A' ' 69' ' ' THR . 10.6 t0 -66.75 -52.92 38.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.558 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.485 ' O ' ' OG1' ' A' ' 69' ' ' THR . 7.7 m-85 -67.97 -38.18 82.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.528 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.436 ' CD1' ' HG3' ' A' ' 72' ' ' PRO . 57.8 t80 -69.27 -41.27 77.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.536 -179.561 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.469 ' O ' ' N ' ' A' ' 71' ' ' GLY . 43.5 t-20 -62.79 -40.78 98.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.593 -178.66 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.815 HG23 ' O ' ' A' ' 65' ' ' ASP . 76.1 p -49.52 -19.54 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.607 -179.108 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -93.58 15.27 16.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.588 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 39.29 61.66 1.43 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.436 ' HG3' ' CD1' ' A' ' 67' ' ' TYR . 57.6 Cg_endo -80.3 132.61 9.28 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.854 2.369 . . . . 0.0 112.13 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -89.74 -32.1 17.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.537 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.514 ' O ' ' C ' ' A' ' 75' ' ' VAL . 50.8 mmtt -61.64 -49.07 78.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.6 -178.693 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.514 ' C ' ' O ' ' A' ' 74' ' ' LYS . 99.3 t 29.98 85.0 0.15 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.574 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_exo -55.87 125.23 18.42 Favored 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 122.772 2.315 . . . . 0.0 112.16 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 62.3 t -82.24 -22.91 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.569 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.7 p -44.56 -31.69 1.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.519 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.78 -35.03 68.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.512 179.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -73.74 -34.88 64.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.552 -179.315 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 77.9 p -69.12 -37.46 78.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.581 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.487 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 2.9 m-85 -61.89 -49.11 77.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.533 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 29.6 t90 -60.4 -38.13 82.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.541 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -63.3 -51.34 66.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.644 -178.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.41 HD23 HD11 ' A' ' 15' ' ' LEU . 62.2 tp -65.15 -50.06 67.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.584 -179.291 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -61.53 -40.22 85.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.547 -179.557 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 53.9 tttt -50.78 -49.02 59.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.572 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.424 ' C ' ' CD ' ' A' ' 88' ' ' GLU . 0.5 OUTLIER -84.49 -17.64 38.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.524 -178.83 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 89' ' ' LEU . 33.2 tp -60.79 -43.32 98.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.609 -178.133 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 30.5 mt -61.54 -45.37 98.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.53 -179.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -63.31 -11.72 24.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.612 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -62.7 -42.14 99.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.594 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.579 ' C ' ' H ' ' A' ' 95' ' ' VAL . 97.8 mttt -145.37 154.59 42.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.567 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.491 ' O ' ' O ' ' A' ' 95' ' ' VAL . 80.8 mm-40 -69.65 30.05 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.602 179.618 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.579 ' H ' ' C ' ' A' ' 93' ' ' LYS . 31.7 m 34.08 -155.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.582 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.525 ' C ' ' OD1' ' A' ' 96' ' ' ASN . 0.6 OUTLIER -154.14 175.51 3.01 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.576 -179.53 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.663 ' O ' ' N ' ' A' ' 99' ' ' VAL . 51.1 Cg_exo -53.06 -32.89 60.68 Favored 'Trans proline' 0 C--N 1.304 -1.784 0 C-N-CA 122.863 2.375 . . . . 0.0 112.11 -177.545 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.522 ' CG ' ' OD1' ' A' ' 96' ' ' ASN . 3.5 pt20 -37.64 -20.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.585 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.663 ' N ' ' O ' ' A' ' 97' ' ' PRO . 99.3 t -62.27 -44.43 99.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.571 178.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 97' ' ' PRO . 77.7 mtm -71.19 -40.48 71.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.599 -179.261 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.67 ' HB3' ' HG2' ' A' ' 48' ' ' GLU . . . -59.59 -23.84 63.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.575 -179.206 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.697 ' HB1' ' CB ' ' A' ' 45' ' ' PHE . . . -70.11 -40.33 74.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.585 179.74 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.461 ' C ' ' H ' ' A' ' 105' ' ' GLN . 49.9 t -54.53 -40.13 48.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.587 178.79 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.72 -9.58 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.623 179.231 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.461 ' H ' ' C ' ' A' ' 103' ' ' VAL . 75.5 mt-30 54.76 -109.58 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.571 -179.342 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 86.2 m -128.78 126.08 39.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.55 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -135.38 146.78 48.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.582 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -82.33 120.28 25.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.592 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 41.4 pt -48.43 -23.3 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.562 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 110' ' ' LEU . 95.0 mt -66.89 -38.26 85.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.549 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -64.36 -31.54 72.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.542 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 44.9 t -60.62 -47.04 88.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.532 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -67.78 -43.53 79.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.562 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 69.1 p -166.22 155.34 11.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.558 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.572 ' O ' ' N ' ' A' ' 119' ' ' GLU . 61.3 mt-30 -99.23 36.8 1.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.595 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 11.6 m -62.75 -43.84 97.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.58 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -60.44 -47.41 86.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.532 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' A' ' 119' ' ' GLU . 89.7 mt -94.28 2.67 55.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.502 -179.566 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.572 ' N ' ' O ' ' A' ' 115' ' ' GLN . 93.7 mt-10 41.01 -163.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.572 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 73.8 m-70 -65.03 -43.69 91.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.589 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 59.7 m80 -87.47 119.89 28.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.571 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -61.49 -44.21 97.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.59 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -116.23 124.67 50.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.573 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 67.9 m80 -74.86 147.53 41.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.578 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 . . . . . 0 C--O 1.221 -0.423 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.587 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MYR . . . . . 0.745 ' H51' ' O ' ' A' ' 48' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.659 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -53.63 -26.59 22.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.78 0.324 . . . . 0.0 110.632 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.739 ' OE1' ' H52' ' A' ' 1' ' ' MYR . 92.2 mt-10 -49.47 -20.19 0.68 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.374 179.715 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 40.3 tp -44.44 -29.01 0.63 Allowed 'General case' 0 C--O 1.239 0.542 0 CA-C-O 121.257 0.551 . . . . 0.0 110.465 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 t -55.11 -28.6 53.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.258 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.785 HE22 HH11 ' A' ' 10' ' ' ARG . 67.5 tp60 -57.2 -46.64 82.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.388 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.644 ' CE1' H101 ' A' ' 1' ' ' MYR . 85.8 m-70 -59.39 -47.85 83.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.132 179.627 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -50.26 -34.14 22.17 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.142 0.496 . . . . 0.0 110.297 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.785 HH11 HE22 ' A' ' 7' ' ' GLN . 53.7 ttp180 -79.33 -49.93 11.66 Favored 'General case' 0 C--O 1.215 -0.737 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.453 179.143 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.476 ' CD2' H122 ' A' ' 1' ' ' MYR . 43.0 t80 -52.98 -41.75 64.89 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.089 0.471 . . . . 0.0 110.35 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.422 HG12 ' N ' ' A' ' 13' ' ' GLU . 3.2 t -62.2 -60.58 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.271 -179.216 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.422 ' N ' HG12 ' A' ' 12' ' ' VAL . 78.8 tt0 -69.08 -45.35 70.54 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.301 -178.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.56 ' O ' ' N ' ' A' ' 17' ' ' GLN . 65.0 tp60 -65.22 -77.22 0.06 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.613 -179.051 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.723 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -34.7 -46.0 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.611 -178.678 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.586 ' HZ2' ' CD1' ' A' ' 31' ' ' LEU . 69.8 mttt -53.52 -43.99 68.79 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.605 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.56 ' N ' ' O ' ' A' ' 14' ' ' GLN . 86.2 mt-30 -60.9 -54.66 42.37 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.078 0.466 . . . . 0.0 109.814 178.665 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.508 ' O ' HG23 ' A' ' 21' ' ' THR . . . -56.21 -14.75 2.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.497 178.615 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.612 HD22 HG21 ' A' ' 24' ' ' VAL . 3.4 mt -88.41 -50.98 5.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.987 178.662 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -43.01 -42.64 3.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.673 -179.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.508 HG23 ' O ' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -58.72 -31.13 68.0 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.684 179.772 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 19' ' ' LEU . 79.1 mmt-85 -71.17 -8.08 51.06 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.577 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.49 21.08 8.14 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.67 HG12 ' N ' ' A' ' 25' ' ' LYS . 21.2 t -103.39 171.54 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.678 0.275 . . . . 0.0 110.611 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.67 ' N ' HG12 ' A' ' 24' ' ' VAL . 60.4 mttp -115.33 144.85 43.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.393 179.515 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.779 ' O ' HG23 ' A' ' 26' ' ' VAL . 18.8 m -124.0 84.25 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 121.102 0.477 . . . . 0.0 110.576 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.7 pttt -108.3 166.15 10.97 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.812 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.489 ' CZ ' HD21 ' A' ' 32' ' ' LEU . 75.7 t80 -55.83 -37.32 68.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.107 0.48 . . . . 0.0 110.625 179.677 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.12 -21.79 59.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.673 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -71.59 -40.83 69.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.794 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.586 ' CD1' ' HZ2' ' A' ' 16' ' ' LYS . 4.3 mp -63.94 -40.8 97.28 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-O 121.126 0.489 . . . . 0.0 110.269 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.489 HD21 ' CZ ' ' A' ' 28' ' ' TYR . 46.1 mt -58.22 -53.52 57.35 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.429 -0.508 . . . . 0.0 111.092 -178.586 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -75.24 -53.72 8.31 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.13 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.417 ' O ' HG22 ' A' ' 38' ' ' VAL . 54.7 t80 -55.64 -42.1 74.52 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.47 -177.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.482 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 5.3 t80 -72.07 -44.19 63.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.125 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -74.73 -22.59 58.73 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 121.018 0.437 . . . . 0.0 110.676 -179.013 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -64.23 -53.56 47.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.765 -178.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' A' ' 42' ' ' CYS . 3.8 m -74.75 -37.16 42.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.007 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -56.65 -31.24 64.19 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.535 -179.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -43.53 -63.75 0.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.856 -179.192 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 46.3 p -114.69 -5.93 12.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.853 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.517 ' N ' ' O ' ' A' ' 38' ' ' VAL . 3.9 m 48.04 63.86 9.57 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.14 0.495 . . . . 0.0 110.631 -178.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.627 ' C ' ' H ' ' A' ' 45' ' ' PHE . 8.4 Cg_exo -70.77 -20.88 29.52 Favored 'Trans proline' 0 C--N 1.302 -1.868 0 C-N-CA 123.034 2.489 . . . . 0.0 112.291 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.692 ' CE2' H141 ' A' ' 1' ' ' MYR . 0.1 OUTLIER -64.8 27.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.691 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.627 ' H ' ' C ' ' A' ' 43' ' ' PRO . 0.1 OUTLIER 58.28 93.68 0.05 OUTLIER Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.215 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -75.78 -10.53 19.99 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.819 2.346 . . . . 0.0 112.25 -178.225 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -84.29 -56.86 3.42 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.198 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.745 ' O ' ' H51' ' A' ' 1' ' ' MYR . 19.7 pt-20 -90.49 -30.7 17.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.813 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.552 ' O ' ' H71' ' A' ' 1' ' ' MYR . . . 75.16 62.71 2.69 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.711 -0.956 . . . . 0.0 110.711 -179.163 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.1 t -139.99 170.28 16.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.855 0.36 . . . . 0.0 110.752 -179.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.456 HG23 ' NE1' ' A' ' 44' ' ' TRP . 1.2 mt -83.19 142.66 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.318 179.421 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.419 ' C ' ' OD2' ' A' ' 52' ' ' ASP . 56.6 t0 -140.31 121.72 15.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.089 0.471 . . . . 0.0 110.362 179.445 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 36.6 mm -71.22 -41.73 75.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.069 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -60.8 -56.87 16.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.239 -178.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.469 ' NH1' ' CZ ' ' A' ' 45' ' ' PHE . 92.9 mtt180 -62.49 -34.0 75.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.699 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.541 ' NE1' ' NE1' ' A' ' 83' ' ' TRP . 44.8 t-105 -57.52 -39.51 76.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.091 0.472 . . . . 0.0 110.649 -179.652 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -66.47 -37.55 85.35 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.389 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.481 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 60.3 ttt85 -60.43 -53.14 61.15 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.842 -179.385 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.4 p -63.26 -37.5 79.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.58 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -63.33 -47.59 86.38 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -71.99 -36.28 69.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.81 0.338 . . . . 0.0 110.783 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.481 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 85.5 m -64.5 -37.85 88.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.8 -179.451 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -84.98 -39.47 18.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.907 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -63.9 -39.74 94.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.335 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.692 ' O ' HG23 ' A' ' 69' ' ' THR . 11.5 t0 -66.74 -51.61 53.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.544 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.477 ' O ' ' OG1' ' A' ' 69' ' ' THR . 71.1 t80 -63.34 -40.07 96.28 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.537 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.421 ' CE2' ' CG ' ' A' ' 72' ' ' PRO . 59.9 t80 -69.9 -38.34 76.27 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.722 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.504 ' O ' ' N ' ' A' ' 71' ' ' GLY . 34.9 t30 -64.09 -40.04 95.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.054 -178.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.692 HG23 ' O ' ' A' ' 65' ' ' ASP . 55.1 p -48.4 -20.44 0.41 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.846 -179.106 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -92.27 14.87 15.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.786 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 40.48 60.11 2.12 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.406 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.466 ' O ' HG23 ' A' ' 75' ' ' VAL . 58.6 Cg_endo -78.7 129.35 9.13 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 122.793 2.329 . . . . 0.0 112.22 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.5 tp10 -87.8 -27.12 22.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.641 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.519 ' O ' ' C ' ' A' ' 75' ' ' VAL . 54.7 mmtt -64.37 -47.29 79.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.86 -178.672 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.519 ' C ' ' O ' ' A' ' 74' ' ' LYS . 73.7 t 25.74 82.49 0.18 Allowed Pre-proline 0 C--O 1.232 0.165 0 O-C-N 123.793 0.683 . . . . 0.0 110.78 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.02 125.95 19.93 Favored 'Trans proline' 0 C--N 1.308 -1.574 0 C-N-CA 122.598 2.199 . . . . 0.0 111.761 -179.05 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 67.0 t -82.09 -26.64 9.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.785 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.432 HG23 ' H ' ' A' ' 78' ' ' THR . 19.6 p -44.28 -31.02 0.9 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.303 -179.59 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.23 -31.62 65.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.019 0.438 . . . . 0.0 110.79 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -66.66 -40.09 88.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.972 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 71.3 m -60.6 -40.05 90.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.634 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.517 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 17.5 m-85 -60.01 -46.37 89.69 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.615 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.541 ' NE1' ' NE1' ' A' ' 56' ' ' TRP . 10.3 m0 -55.45 -48.36 74.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.112 -179.26 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 -64.99 -41.76 95.11 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.307 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.658 HD23 HD11 ' A' ' 15' ' ' LEU . 53.5 tp -69.89 -58.36 3.96 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.102 -179.112 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -55.69 -39.16 53.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.918 0.39 . . . . 0.0 110.333 179.389 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 64.9 tttt -53.14 -48.94 67.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.548 -178.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.84 -17.23 38.68 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.246 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 89' ' ' LEU . 29.5 tp -60.59 -42.27 96.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.485 -176.567 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 28.7 mt -60.38 -42.48 91.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.469 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -74.55 -5.44 42.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.556 -179.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -67.83 -5.95 19.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.721 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt 63.08 7.85 2.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.569 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -96.88 55.38 1.35 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.679 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 1.3 m -83.71 174.17 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.636 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.58 ' ND2' ' OE1' ' A' ' 7' ' ' GLN . 0.8 OUTLIER -111.58 167.0 9.74 Favored Pre-proline 0 C--N 1.331 -0.203 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.75 -179.906 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.511 ' C ' ' H ' ' A' ' 99' ' ' VAL . 78.3 Cg_exo -43.89 -16.44 0.1 OUTLIER 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 122.832 2.354 . . . . 0.0 112.179 179.088 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.473 ' OE1' ' O ' ' A' ' 49' ' ' GLY . 3.9 pt20 -46.96 -12.78 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.482 179.087 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.813 ' O ' HG23 ' A' ' 103' ' ' VAL . 77.8 t -58.86 -49.04 84.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.34 -178.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 60.7 mtt -62.38 -47.08 85.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.993 0.425 . . . . 0.0 110.554 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -70.51 -17.51 62.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.661 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.426 ' CB ' ' OE2' ' A' ' 48' ' ' GLU . . . -89.96 -27.86 19.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.889 -179.576 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.813 HG23 ' O ' ' A' ' 99' ' ' VAL . 65.6 t -59.77 -45.67 94.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.321 -179.652 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.44 ' O ' ' O ' ' A' ' 105' ' ' GLN . . . -53.9 -36.95 63.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.604 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.44 ' O ' ' O ' ' A' ' 104' ' ' ALA . 58.3 tt0 33.97 92.05 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 O-C-N 123.474 0.484 . . . . 0.0 110.547 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 87.5 m -118.86 126.44 51.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.479 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.529 ' N ' ' OE2' ' A' ' 107' ' ' GLU . 43.3 mp0 -101.01 142.72 32.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.475 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -68.76 134.72 50.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.434 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 45.7 pt -57.32 -24.26 21.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.543 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 96.5 mt -64.61 -38.96 92.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.395 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -99.53 124.95 45.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.592 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 17.9 p -90.38 -171.44 3.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.426 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 -58.01 -43.65 86.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.502 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.3 p -106.07 179.22 4.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.521 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 56.03 -158.81 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.607 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.648 HG23 ' H ' ' A' ' 118' ' ' LEU . 13.0 t -134.03 -158.04 0.85 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.658 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.423 ' OD2' ' O ' ' A' ' 117' ' ' ASP . 62.2 t0 -56.75 -39.45 74.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.389 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.648 ' H ' HG23 ' A' ' 116' ' ' THR . 43.8 tp -107.72 125.43 51.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.462 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -66.79 125.89 27.29 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 120.852 0.358 . . . . 0.0 110.528 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -66.03 -41.27 91.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.693 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 55.4 m80 -110.19 141.66 42.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.636 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -104.46 123.72 47.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.365 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -59.61 -46.08 90.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.497 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -111.94 130.45 55.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.487 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.526 ' CG ' ' O ' ' A' ' 125' ' ' HIS . 26.0 t-80 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.957 -1.02 . . . . 0.0 110.533 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MYR . . . . . 0.786 H122 ' CD2' ' A' ' 11' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.677 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -46.26 -21.7 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 110.59 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.572 ' HG3' ' H32' ' A' ' 1' ' ' MYR . 69.1 mm-40 -49.46 -20.32 0.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.604 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 38.2 tp -46.59 -31.64 2.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.611 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.3 m -55.82 -35.92 66.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.552 179.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.55 ' NE2' ' OE1' ' A' ' 4' ' ' GLU . 89.3 mt-30 -55.99 -41.8 75.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.584 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -57.3 -51.39 69.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.638 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -48.01 -36.88 13.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.601 177.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 93.0 mtt-85 -77.84 -48.83 15.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.562 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.786 ' CD2' H122 ' A' ' 1' ' ' MYR . 66.3 t80 -47.29 -44.98 23.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.496 178.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.3 t -61.51 -53.84 43.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.521 -178.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -67.3 -45.6 76.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.584 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.667 ' O ' ' N ' ' A' ' 17' ' ' GLN . 68.2 tp60 -65.63 -78.74 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.563 -179.176 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.639 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -30.23 -48.76 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.612 -179.765 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.773 ' HZ1' ' HG ' ' A' ' 31' ' ' LEU . 62.1 mttt -60.88 -41.09 95.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.629 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.667 ' N ' ' O ' ' A' ' 14' ' ' GLN . 75.5 mt-30 -66.33 -59.93 3.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.547 178.003 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.498 ' O ' ' CG2' ' A' ' 21' ' ' THR . . . -49.69 -15.94 0.21 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.568 177.654 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.591 HD22 HG21 ' A' ' 24' ' ' VAL . 5.3 mt -88.13 -50.01 6.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.595 178.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -42.47 -38.12 1.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.58 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 18' ' ' ALA . 1.2 t -64.01 -32.06 73.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.56 -179.387 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 19' ' ' LEU . 24.9 mmm-85 -72.52 -6.52 44.47 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.532 -179.271 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 106.86 25.72 6.08 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.601 HG12 ' N ' ' A' ' 25' ' ' LYS . 15.0 t -106.75 169.1 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.727 0.299 . . . . 0.0 110.601 179.549 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.601 ' N ' HG12 ' A' ' 24' ' ' VAL . 68.7 mttm -115.62 144.54 43.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.568 178.719 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.783 ' O ' HG23 ' A' ' 26' ' ' VAL . 22.2 m -122.6 85.11 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.522 -178.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.529 ' HD3' ' H ' ' A' ' 29' ' ' ALA . 11.8 tmtt? -110.12 161.99 15.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.572 178.708 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.561 ' CZ ' HD21 ' A' ' 32' ' ' LEU . 72.4 t80 -52.14 -30.84 28.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.534 -179.535 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.529 ' H ' ' HD3' ' A' ' 27' ' ' LYS . . . -61.81 -23.1 66.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.587 179.679 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.444 ' CB ' ' HZ3' ' A' ' 16' ' ' LYS . 88.3 m-20 -73.01 -41.91 63.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.559 -178.656 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.773 ' HG ' ' HZ1' ' A' ' 16' ' ' LYS . 2.8 mp -60.01 -43.74 95.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.589 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.561 HD21 ' CZ ' ' A' ' 28' ' ' TYR . 62.3 mt -49.58 -66.59 0.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.61 -179.188 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.504 ' O ' ' N ' ' A' ' 37' ' ' PHE . 87.8 tttt -69.52 -54.07 16.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.58 -178.147 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.439 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 63.4 t80 -52.1 -45.76 64.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.541 -176.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.532 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 20.5 t80 -68.62 -42.46 78.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.57 -177.632 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -77.33 -20.78 54.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.624 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.504 ' N ' ' O ' ' A' ' 33' ' ' LYS . 77.9 t80 -61.93 -48.84 78.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.567 -178.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.538 ' O ' ' N ' ' A' ' 42' ' ' CYS . 2.9 m -80.01 -33.0 14.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.547 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.447 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 79.6 tttt -56.8 -33.39 66.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.503 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -42.27 -62.9 0.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.595 -179.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.5 p -116.33 -0.29 12.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.535 -179.159 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.552 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 20.0 m 40.13 61.99 6.05 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.502 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.593 ' C ' ' H ' ' A' ' 45' ' ' PHE . 8.0 Cg_exo -71.25 -18.67 30.11 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.757 2.305 . . . . 0.0 112.168 -179.455 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.57 ' NE1' H142 ' A' ' 1' ' ' MYR . 0.0 OUTLIER -68.55 28.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.564 -178.835 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.628 ' O ' ' N ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER 54.01 91.85 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.587 179.344 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -54.92 -36.35 91.69 Favored 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.826 2.351 . . . . 0.0 112.141 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -85.46 -43.57 13.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.551 -178.263 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.615 ' O ' ' H51' ' A' ' 1' ' ' MYR . 0.4 OUTLIER -85.46 -17.69 35.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.592 -178.559 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.628 ' N ' ' O ' ' A' ' 45' ' ' PHE . . . 43.67 23.31 0.33 Allowed Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -178.646 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.507 HG22 ' HB3' ' A' ' 48' ' ' GLU . 7.1 t -98.36 171.77 7.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.778 0.323 . . . . 0.0 110.577 -179.319 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.7 mt -90.13 141.6 14.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.545 178.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -135.29 120.29 18.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.58 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 26.9 mm -72.72 -41.29 62.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.571 -179.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -62.78 -54.69 35.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.584 -177.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 -66.1 -34.38 77.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.516 -179.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 41.1 t-105 -58.66 -36.96 74.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.561 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 77.4 mtp85 -67.86 -38.59 83.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.541 178.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.503 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 77.3 mtp85 -59.56 -52.0 67.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.604 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.2 p -63.57 -38.31 81.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.556 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -64.27 -50.21 61.35 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -69.58 -37.4 76.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.73 0.3 . . . . 0.0 110.5 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.503 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 68.1 m -62.15 -39.93 94.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.545 -179.7 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -82.89 -40.88 19.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.565 -179.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -63.63 -40.54 97.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.614 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.523 ' O ' HG23 ' A' ' 69' ' ' THR . 40.4 t0 -65.52 -50.99 63.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.615 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.428 ' O ' ' OG1' ' A' ' 69' ' ' THR . 61.1 t80 -63.83 -41.48 97.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.609 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -65.08 -38.85 92.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.563 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.541 ' O ' ' N ' ' A' ' 71' ' ' GLY . 90.5 m-20 -61.02 -41.4 96.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.554 -178.257 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.523 HG23 ' O ' ' A' ' 65' ' ' ASP . 81.0 p -46.82 -21.43 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.534 -178.601 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -89.93 15.67 9.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.601 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 38.65 59.44 1.62 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.396 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.435 ' O ' HG23 ' A' ' 75' ' ' VAL . 58.0 Cg_endo -78.07 132.61 11.71 Favored 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 122.804 2.336 . . . . 0.0 112.111 -179.691 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -89.38 -34.12 16.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.624 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.57 ' O ' ' C ' ' A' ' 75' ' ' VAL . 23.6 mtpt -59.93 -48.02 83.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.543 -178.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.57 ' C ' ' O ' ' A' ' 74' ' ' LYS . 72.0 t 24.11 84.87 0.11 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.572 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -56.93 124.23 15.74 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.881 2.387 . . . . 0.0 112.081 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 84.6 t -83.5 -22.86 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.599 -179.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 28.1 p -45.31 -27.34 0.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.56 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.27 -29.74 64.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.511 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.543 ' CE2' ' ND2' ' A' ' 84' ' ' ASN . 79.5 t80 -63.6 -38.98 93.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.59 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.1 m -66.59 -38.94 88.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.584 -178.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.512 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 6.5 m-85 -54.65 -52.13 63.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.569 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.577 ' CD1' ' N ' ' A' ' 83' ' ' TRP . 7.8 m0 -59.82 -41.94 92.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.545 -178.414 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.543 ' ND2' ' CE2' ' A' ' 80' ' ' PHE . 67.4 m-20 -66.23 -44.7 83.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.574 -178.738 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.406 ' HA ' HD12 ' A' ' 85' ' ' LEU . 56.9 tp -68.46 -53.85 20.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.578 -178.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.4 mt -60.28 -40.67 84.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.592 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -49.44 -50.69 39.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.532 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.438 ' C ' ' CD ' ' A' ' 88' ' ' GLU . 0.8 OUTLIER -85.4 -18.69 32.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.513 -178.469 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.423 ' HA ' HD12 ' A' ' 89' ' ' LEU . 41.7 tp -56.55 -42.36 78.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.629 -177.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 23.4 mt -62.45 -42.8 97.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.495 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -67.37 -11.11 56.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.518 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.588 ' O ' HG13 ' A' ' 95' ' ' VAL . 70.0 tttt -64.55 130.6 44.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.596 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -58.77 -30.04 67.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.553 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -72.33 54.96 0.32 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.589 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.588 HG13 ' O ' ' A' ' 92' ' ' LYS . 34.9 m -81.59 179.62 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.577 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.637 HD21 ' HB3' ' A' ' 98' ' ' GLN . 0.0 OUTLIER -131.37 161.08 64.15 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.575 -179.395 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.603 ' N ' ' OD1' ' A' ' 96' ' ' ASN . 73.8 Cg_exo -33.51 -35.53 0.08 OUTLIER 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.896 2.397 . . . . 0.0 112.083 -176.619 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.637 ' HB3' HD21 ' A' ' 96' ' ' ASN . 10.4 pt20 -45.77 -13.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.551 -179.046 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 96' ' ' ASN . 75.9 t -62.14 -46.87 95.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.535 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 73.7 mtm -65.74 -35.75 81.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.518 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.479 ' O ' ' CG ' ' A' ' 48' ' ' GLU . . . -83.78 -20.34 33.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.578 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 98' ' ' GLN . . . -70.66 -49.73 44.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.582 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 44.3 t -49.89 -19.17 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.603 178.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.77 -39.51 89.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.527 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 42.69 -134.66 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.602 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 15.4 m -63.72 -49.0 74.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.552 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -140.51 158.6 43.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.531 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -79.02 126.22 30.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.554 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.408 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 41.1 pt -54.21 -26.86 15.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.572 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 95.6 mt -61.93 -40.67 96.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.579 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -67.85 -40.82 83.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.541 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 67.2 p -64.72 -43.65 92.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.637 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.408 ' ND2' ' O ' ' A' ' 109' ' ' ILE . 74.4 m-20 -62.31 -39.74 94.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.546 179.492 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 30.0 p -161.15 158.63 27.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.579 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.447 ' O ' ' O ' ' A' ' 118' ' ' LEU . 28.4 pt20 -103.24 16.07 27.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.59 -179.359 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.418 ' O ' ' OE2' ' A' ' 119' ' ' GLU . 5.9 m -62.2 -45.15 94.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.504 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -64.71 -40.13 94.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.577 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' A' ' 115' ' ' GLN . 87.4 mt -123.0 121.1 35.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.504 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.536 ' OE1' ' N ' ' A' ' 119' ' ' GLU . 53.0 mp0 -106.38 129.86 54.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.54 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -113.68 126.33 55.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.551 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 54.9 m80 -114.0 149.67 35.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.589 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.447 ' O ' ' CE1' ' A' ' 125' ' ' HIS . 14.9 m80 -73.82 -35.57 64.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.613 179.07 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -56.48 -40.21 74.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.573 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.49 ' O ' ' OXT' ' A' ' 125' ' ' HIS . 9.3 m-70 -67.52 -38.27 84.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.572 179.184 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.49 ' OXT' ' O ' ' A' ' 124' ' ' HIS . 29.1 m80 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.523 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MYR . . . . . 0.675 ' H32' ' OE2' ' A' ' 4' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.755 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.514 ' O ' ' N ' ' A' ' 5' ' ' LEU . 98.6 mm-40 -58.63 -37.55 76.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.936 0.398 . . . . 0.0 110.455 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.675 ' OE2' ' H32' ' A' ' 1' ' ' MYR . 97.7 mt-10 -42.46 -20.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.077 179.52 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' A' ' 3' ' ' GLN . 53.4 tp -41.78 -31.97 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.098 -179.307 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.2 p -61.91 -35.38 78.19 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.079 0.466 . . . . 0.0 110.282 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.519 ' N ' ' O ' ' A' ' 4' ' ' GLU . 51.5 tt0 -53.32 -41.86 66.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.042 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.514 ' ND1' ' CE1' ' A' ' 35' ' ' PHE . 10.6 t-160 -65.26 -43.97 89.6 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -54.13 -24.4 17.69 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.394 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.404 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 84.0 mtp180 -81.86 -52.09 7.45 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.155 179.521 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.591 ' CE2' HD23 ' A' ' 15' ' ' LEU . 47.0 t80 -59.37 -36.54 75.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.272 0.558 . . . . 0.0 110.051 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.9 t -65.02 -56.55 15.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 C-N-CA 120.356 -0.538 . . . . 0.0 111.266 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -70.58 -30.38 67.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.865 0.364 . . . . 0.0 111.398 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 17' ' ' GLN . 69.3 tp60 -77.02 -72.98 0.32 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.747 -179.345 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.591 HD23 ' CE2' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -41.72 -43.61 2.93 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -178.301 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.424 ' HB3' HG11 ' A' ' 26' ' ' VAL . 97.2 mttt -62.86 -43.36 99.0 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.201 -0.6 . . . . 0.0 110.924 179.244 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 14' ' ' GLN . 1.0 OUTLIER -50.05 -51.45 42.34 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-O 121.824 0.821 . . . . 0.0 110.165 -179.223 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.536 ' O ' HG22 ' A' ' 21' ' ' THR . . . -60.46 -58.13 9.78 Favored 'General case' 0 C--O 1.212 -0.89 0 C-N-CA 120.149 -0.62 . . . . 0.0 109.792 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.624 HD13 ' CZ ' ' A' ' 82' ' ' TYR . 5.3 mt -41.19 -47.48 3.31 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 123.61 0.568 . . . . 0.0 109.949 -179.544 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -49.61 -34.47 18.1 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.536 HG22 ' O ' ' A' ' 18' ' ' ALA . 0.7 OUTLIER -60.9 -33.21 72.78 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.081 179.334 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.2 mmt85 -73.25 11.3 0.77 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.465 -179.015 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.442 ' H ' ' C ' ' A' ' 21' ' ' THR . . . 95.43 -6.51 68.25 Favored Glycine 0 N--CA 1.465 0.611 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.545 HG12 ' N ' ' A' ' 25' ' ' LYS . 11.4 t -70.44 168.69 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 120.931 -0.308 . . . . 0.0 110.46 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.545 ' N ' HG12 ' A' ' 24' ' ' VAL . 51.2 tttp -123.56 130.6 52.91 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.175 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.742 ' O ' HG23 ' A' ' 26' ' ' VAL . 20.2 m -120.29 102.99 13.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 CA-C-O 121.12 0.486 . . . . 0.0 110.674 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.465 ' HD2' ' HB3' ' A' ' 29' ' ' ALA . 40.6 pttt -109.65 164.73 12.27 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.977 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.457 ' CE2' HD21 ' A' ' 32' ' ' LEU . 79.5 t80 -56.74 -36.12 69.39 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.242 0.544 . . . . 0.0 110.378 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.465 ' HB3' ' HD2' ' A' ' 27' ' ' LYS . . . -59.31 -22.45 61.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.943 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -72.46 -36.16 68.43 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.478 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.7 mp -68.21 -40.12 82.21 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.475 0.655 . . . . 0.0 110.048 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.457 HD21 ' CE2' ' A' ' 28' ' ' TYR . 39.6 mt -60.87 -39.98 91.24 Favored 'General case' 0 C--N 1.313 -1.011 0 C-N-CA 119.955 -0.698 . . . . 0.0 111.261 -179.064 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -85.26 -49.18 8.4 Favored 'General case' 0 C--O 1.215 -0.733 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.859 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.448 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 82.2 t80 -61.65 -39.28 90.77 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.106 0.479 . . . . 0.0 112.247 -179.477 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.514 ' CE1' ' ND1' ' A' ' 8' ' ' HIS . 1.8 t80 -76.13 -51.62 11.82 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.554 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -64.07 -30.4 71.47 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 121.099 0.476 . . . . 0.0 110.94 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -59.88 -49.7 76.65 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.845 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.582 ' O ' ' N ' ' A' ' 42' ' ' CYS . 0.0 OUTLIER -66.7 -35.72 75.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.169 -0.612 . . . . 0.0 110.675 179.833 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.5 mttt -52.71 -34.7 53.6 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.792 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -46.02 -64.19 0.8 Allowed 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.496 -0.482 . . . . 0.0 111.438 -179.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.2 p -111.98 -25.22 9.5 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.944 0.402 . . . . 0.0 111.383 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.582 ' N ' ' O ' ' A' ' 38' ' ' VAL . 1.3 m 57.39 50.44 4.3 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-O 121.374 0.607 . . . . 0.0 110.253 -179.381 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.529 ' C ' ' H ' ' A' ' 45' ' ' PHE . 62.2 Cg_endo -78.83 -21.17 9.89 Favored 'Trans proline' 0 C--N 1.308 -1.564 0 C-N-CA 122.129 1.886 . . . . 0.0 112.635 -179.445 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.626 ' CZ3' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -71.1 23.66 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.291 -179.614 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.529 ' H ' ' C ' ' A' ' 43' ' ' PRO . 10.0 m-85 40.67 74.82 0.67 Allowed Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.532 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.657 ' O ' ' H71' ' A' ' 1' ' ' MYR . 40.9 Cg_endo -75.53 -11.23 20.55 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.545 2.163 . . . . 0.0 112.202 -179.625 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.517 ' O ' ' H51' ' A' ' 1' ' ' MYR . 86.7 mt-30 -66.8 -56.37 10.75 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.471 -0.491 . . . . 0.0 110.466 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.454 ' O ' ' OE1' ' A' ' 98' ' ' GLN . 12.2 pt-20 -94.1 -14.71 25.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.022 0.439 . . . . 0.0 110.299 178.53 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.525 ' O ' ' NE2' ' A' ' 98' ' ' GLN . . . 65.06 71.6 0.85 Allowed Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.461 ' CA ' HE22 ' A' ' 98' ' ' GLN . 8.9 t -125.61 169.32 12.6 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 110.476 -0.194 . . . . 0.0 110.476 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -113.0 142.62 24.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.779 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -144.25 121.6 11.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.685 0.279 . . . . 0.0 110.315 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 25.4 mm -71.01 -41.13 76.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.891 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -63.62 -58.31 7.34 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.83 -178.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -63.33 -35.9 81.92 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.508 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.626 ' CZ3' ' CZ3' ' A' ' 44' ' ' TRP . 21.5 t-105 -58.66 -40.18 82.75 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.952 -179.356 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 79.6 ttt-85 -65.2 -39.54 92.96 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.024 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.527 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 95.5 mtt-85 -58.76 -53.17 61.38 Favored 'General case' 0 C--O 1.226 -0.161 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.293 -179.366 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.7 p -64.47 -36.48 77.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.688 179.292 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.55 -54.11 36.5 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 120.628 -0.796 . . . . 0.0 111.748 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -70.49 -36.88 74.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.871 0.367 . . . . 0.0 111.13 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.527 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 91.0 m -63.1 -40.46 97.72 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.426 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -85.04 -46.32 11.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.303 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -60.21 -27.79 67.46 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.811 -179.441 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.827 ' O ' HG23 ' A' ' 69' ' ' THR . 26.9 t0 -76.63 -58.25 3.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.9 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.432 ' O ' ' OG1' ' A' ' 69' ' ' THR . 22.9 m-85 -64.43 -40.5 95.88 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.069 0.461 . . . . 0.0 111.493 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -62.98 -47.11 84.56 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -64.21 -39.25 93.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.743 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.827 HG23 ' O ' ' A' ' 65' ' ' ASP . 51.5 p -58.25 -24.84 60.68 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.105 -179.32 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -115.34 8.07 15.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.251 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -148.93 -160.31 9.03 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -64.97 141.01 68.74 Favored 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 123.338 2.692 . . . . 0.0 111.757 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -82.33 -37.16 26.14 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.066 0.46 . . . . 0.0 110.027 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.561 ' O ' ' O ' ' A' ' 75' ' ' VAL . 35.8 mmtt -72.01 -45.94 59.01 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.637 -178.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.561 ' O ' ' O ' ' A' ' 74' ' ' LYS . 0.1 OUTLIER 44.04 169.95 0.0 OUTLIER Pre-proline 0 CA--C 1.546 0.794 0 O-C-N 124.543 1.152 . . . . 0.0 111.857 179.496 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -57.44 124.82 17.02 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 120.567 0.845 . . . . 0.0 111.446 178.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.408 ' O ' HG12 ' A' ' 77' ' ' VAL . 46.5 t -84.99 -14.78 11.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.136 179.171 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 47.1 p -44.49 -24.7 0.2 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.059 0.457 . . . . 0.0 110.67 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.414 ' O ' ' CE2' ' A' ' 83' ' ' TRP . . . -58.87 -17.43 23.96 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.877 179.325 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -66.74 -42.33 86.4 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.175 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.4 m -61.9 -39.33 91.6 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 120.868 0.366 . . . . 0.0 110.756 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.624 ' CZ ' HD13 ' A' ' 19' ' ' LEU . 14.5 m-85 -59.32 -50.16 75.04 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.94 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.594 ' CD1' ' N ' ' A' ' 83' ' ' TRP . 6.7 m0 -58.1 -40.84 82.2 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.764 -0.374 . . . . 0.0 111.278 -179.683 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -64.5 -46.13 84.31 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.763 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 60.5 tp -69.8 -51.87 30.02 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.753 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -59.8 -35.44 60.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 C-N-CA 120.602 -0.439 . . . . 0.0 109.9 -179.583 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 68.8 tttt -58.19 -45.85 86.83 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.56 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -84.59 -17.54 38.43 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.76 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 30.3 tp -64.15 -43.21 95.92 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -176.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 7.3 mt -62.54 -42.47 95.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.765 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -49.25 -34.07 14.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.364 -178.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -68.43 138.07 55.0 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.261 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -92.7 -3.63 54.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -87.28 15.29 6.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.544 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 1.6 t -111.38 90.42 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.668 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.558 ' O ' HG23 ' A' ' 99' ' ' VAL . 7.0 p-10 -125.6 78.87 68.25 Favored Pre-proline 0 N--CA 1.453 -0.3 0 C-N-CA 119.865 -0.734 . . . . 0.0 110.2 178.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -79.64 -30.39 2.44 Favored 'Trans proline' 0 C--N 1.314 -1.253 0 C-N-CA 123.115 2.544 . . . . 0.0 111.92 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.525 ' NE2' ' O ' ' A' ' 49' ' ' GLY . 39.8 mm-40 -50.34 -22.71 1.94 Allowed 'General case' 0 C--O 1.218 -0.602 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.101 -179.077 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 96' ' ' ASN . 63.1 t -43.31 -65.83 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 C-N-CA 120.205 -0.598 . . . . 0.0 111.821 -178.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.431 ' O ' ' OE1' ' A' ' 4' ' ' GLU . 88.2 mmm -82.81 -42.01 18.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.284 0.564 . . . . 0.0 112.075 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.449 ' HB1' ' H51' ' A' ' 1' ' ' MYR . . . -58.43 -18.18 26.41 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.767 -179.171 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.454 ' CB ' ' O ' ' A' ' 98' ' ' GLN . . . -90.69 -5.63 55.53 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.994 0.426 . . . . 0.0 110.8 179.554 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.554 ' O ' HG12 ' A' ' 103' ' ' VAL . 97.7 t -77.69 -5.83 8.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.051 179.479 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.543 ' N ' ' OE1' ' A' ' 4' ' ' GLU . . . -63.11 -33.38 75.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.157 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.465 ' C ' ' O ' ' A' ' 104' ' ' ALA . 89.4 mt-30 28.53 89.6 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.272 0 O-C-N 124.252 0.97 . . . . 0.0 110.619 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 82.0 p -80.17 167.59 20.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.568 -179.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -134.97 154.11 51.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.462 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -71.09 130.33 41.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.036 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 43.7 pt -55.23 -23.96 14.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.017 0.436 . . . . 0.0 110.509 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 97.5 mt -63.73 -41.11 98.1 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.2 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -67.36 -39.23 85.71 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.679 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 88.5 p -60.38 -46.21 90.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.753 -179.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -66.64 -42.63 86.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.507 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.553 ' OG ' HG23 ' A' ' 116' ' ' THR . 5.3 t -158.47 135.27 9.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.441 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -87.97 36.02 0.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.503 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.553 HG23 ' OG ' ' A' ' 114' ' ' SER . 73.7 p -69.54 -39.75 77.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.795 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -60.92 -47.31 87.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.181 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 80.5 mt -133.66 143.78 48.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.423 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -119.81 179.83 4.13 Favored 'General case' 0 C--N 1.333 -0.129 0 O-C-N 123.207 0.317 . . . . 0.0 110.184 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 48.8 m80 -121.59 138.06 54.48 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.383 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -108.89 133.0 53.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.286 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -110.44 136.75 49.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.518 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -129.23 147.19 51.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.772 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -65.79 -41.19 92.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.676 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 73.8 m80 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.654 179.907 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MYR . . . . . 0.666 ' H62' ' OG ' ' A' ' 6' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.475 ' O ' ' OG ' ' A' ' 6' ' ' SER . . . . . . . . 0 CA--C 1.524 0.604 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -41.47 -59.53 1.56 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.894 0.378 . . . . 0.0 110.673 -179.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 5' ' ' LEU . 95.3 mt-10 -84.05 -65.27 1.03 Allowed 'General case' 0 CA--C 1.509 -0.627 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.835 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.693 HD13 ' N ' ' A' ' 6' ' ' SER . 2.0 tm? -39.5 -65.4 0.39 Allowed 'General case' 0 C--N 1.313 -0.979 0 C-N-CA 120.052 -0.659 . . . . 0.0 110.845 -176.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.693 ' N ' HD13 ' A' ' 5' ' ' LEU . 24.3 p -43.37 -44.62 5.74 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.756 -177.069 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.487 ' O ' ' CB ' ' A' ' 11' ' ' TYR . 44.0 tt0 -48.63 -60.93 2.31 Favored 'General case' 0 C--O 1.214 -0.766 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.076 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 49.6 m170 -52.3 -41.52 63.0 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.387 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -65.51 -62.76 1.34 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.977 -179.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.648 ' CZ ' HD21 ' A' ' 96' ' ' ASN . 95.8 mtt-85 -67.08 -45.96 75.71 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.758 -178.571 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.487 ' CB ' ' O ' ' A' ' 7' ' ' GLN . 45.8 t80 -49.82 -56.17 11.4 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.157 0.504 . . . . 0.0 110.39 -179.536 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.49 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 5.7 t -60.77 -61.44 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 C-N-CA 119.862 -0.735 . . . . 0.0 112.182 -179.23 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -58.11 -47.47 83.17 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.609 -0.437 . . . . 0.0 111.941 -178.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.527 ' O ' ' N ' ' A' ' 17' ' ' GLN . 73.0 tp60 -68.29 -75.4 0.1 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.663 -178.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.596 HD23 H142 ' A' ' 1' ' ' MYR . 0.2 OUTLIER -38.33 -48.98 1.38 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 123.671 0.607 . . . . 0.0 110.164 -177.61 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' A' ' 12' ' ' VAL . 25.9 mmtt -62.75 -38.48 90.73 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.813 0.339 . . . . 0.0 110.28 179.031 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.527 ' N ' ' O ' ' A' ' 14' ' ' GLN . 68.4 tp60 -70.42 -59.54 2.8 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.168 179.535 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.465 ' O ' ' CG2' ' A' ' 21' ' ' THR . . . -44.52 -20.85 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.024 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 22' ' ' ARG . 7.6 mt -85.01 -51.29 6.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.342 178.185 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -44.32 -41.07 5.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.894 -178.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.465 ' CG2' ' O ' ' A' ' 18' ' ' ALA . 0.8 OUTLIER -60.84 -29.94 69.81 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.397 -179.726 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 19' ' ' LEU . 58.0 mtt180 -80.85 14.11 2.34 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.699 -0.401 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.47 25.24 36.7 Favored Glycine 0 N--CA 1.468 0.793 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.609 HG12 ' N ' ' A' ' 25' ' ' LYS . 20.9 t -101.35 169.41 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 121.101 -0.24 . . . . 0.0 110.46 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.609 ' N ' HG12 ' A' ' 24' ' ' VAL . 99.0 mttt -114.66 148.62 37.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.582 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.733 ' O ' HG23 ' A' ' 26' ' ' VAL . 30.6 m -111.37 88.11 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.952 0.406 . . . . 0.0 110.729 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.544 ' HD2' ' HB3' ' A' ' 29' ' ' ALA . 48.9 pttt -109.4 163.19 13.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.88 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -64.99 -37.93 89.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.617 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.544 ' HB3' ' HD2' ' A' ' 27' ' ' LYS . . . -57.81 -25.73 61.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.126 -179.53 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -72.67 -39.11 67.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.827 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.482 ' O ' ' CB ' ' A' ' 35' ' ' PHE . 0.7 OUTLIER -63.59 -41.85 98.31 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.358 0.599 . . . . 0.0 110.309 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.9 mt -49.82 -56.5 10.16 Favored 'General case' 0 C--N 1.31 -1.124 0 C-N-CA 119.649 -0.82 . . . . 0.0 111.249 -178.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -74.27 -52.16 13.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.717 -178.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.402 ' CB ' ' HZ1' ' A' ' 16' ' ' LYS . 14.3 t80 -59.37 -41.0 88.26 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -178.724 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.482 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 7.2 t80 -67.91 -46.65 70.97 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.793 178.561 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -71.85 -21.38 61.68 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.86 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -65.39 -57.76 7.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.828 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.536 ' O ' ' N ' ' A' ' 42' ' ' CYS . 2.5 m -71.18 -38.94 72.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.105 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -53.86 -34.93 60.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.605 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -41.44 -62.53 0.85 Allowed 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.916 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.453 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 12.9 p -114.67 2.13 14.39 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.198 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.536 ' N ' ' O ' ' A' ' 38' ' ' VAL . 11.1 p 36.02 62.45 2.74 Favored Pre-proline 0 N--CA 1.463 0.218 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.601 -178.529 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.543 ' C ' ' H ' ' A' ' 45' ' ' PHE . 6.8 Cg_exo -70.85 -15.26 33.03 Favored 'Trans proline' 0 C--N 1.309 -1.507 0 C-N-CA 122.987 2.458 . . . . 0.0 112.273 -179.269 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.484 ' NE1' H143 ' A' ' 1' ' ' MYR . 0.9 OUTLIER -70.11 22.6 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.212 0.53 . . . . 0.0 111.258 -179.183 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.543 ' H ' ' C ' ' A' ' 43' ' ' PRO . 2.4 m-85 52.76 91.39 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.183 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -73.59 -6.15 18.25 Favored 'Trans proline' 0 C--N 1.313 -1.301 0 C-N-CA 122.349 2.033 . . . . 0.0 112.416 -179.312 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -83.0 -57.0 3.47 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.222 -0.591 . . . . 0.0 110.971 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.471 ' OE2' ' O ' ' A' ' 101' ' ' ALA . 8.2 pt-20 -92.95 -17.57 23.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.817 179.055 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.44 ' O ' ' OE1' ' A' ' 98' ' ' GLN . . . 63.49 73.83 0.5 Allowed Glycine 0 CA--C 1.527 0.837 0 N-CA-C 110.328 -1.109 . . . . 0.0 110.328 -178.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.539 ' OG1' ' NE2' ' A' ' 98' ' ' GLN . 6.1 t -150.72 169.74 20.89 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.896 0.379 . . . . 0.0 110.938 -179.371 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.529 HG12 H131 ' A' ' 1' ' ' MYR . 2.0 mt -87.53 151.36 3.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.071 179.311 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -140.35 122.13 15.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.821 0.344 . . . . 0.0 110.288 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.9 mm -70.21 -41.62 78.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.139 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -62.89 -54.37 39.65 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.13 0.491 . . . . 0.0 111.543 -178.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -66.01 -35.68 81.22 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.334 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 35.1 t-105 -55.79 -37.32 68.45 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 121.209 0.528 . . . . 0.0 110.579 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -68.21 -40.25 82.16 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.93 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.434 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 45.9 mtm-85 -60.06 -49.65 76.84 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.56 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.447 HG13 ' N ' ' A' ' 60' ' ' GLY . 4.0 p -66.32 -43.11 91.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 CA-C-O 120.96 0.409 . . . . 0.0 110.41 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.447 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -60.58 -48.92 83.79 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 -179.618 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.444 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 63.7 t0 -70.46 -38.72 74.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.968 0.413 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.434 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 17.4 m -57.34 -43.47 83.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.695 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -75.97 -35.4 59.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.802 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -62.63 -47.64 82.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.796 -179.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.441 ' O ' HG23 ' A' ' 69' ' ' THR . 20.2 t0 -61.18 -50.88 71.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.728 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -61.37 -44.64 96.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.954 0.407 . . . . 0.0 110.845 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.412 ' CD1' ' HG3' ' A' ' 72' ' ' PRO . 71.0 t80 -62.42 -37.51 86.12 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.477 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.409 ' O ' ' N ' ' A' ' 71' ' ' GLY . 93.3 m-20 -61.91 -39.8 93.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.406 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.441 HG23 ' O ' ' A' ' 65' ' ' ASP . 64.1 p -50.31 -29.56 10.07 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.578 -179.38 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -79.01 13.3 1.81 Allowed 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.692 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.418 ' N ' ' HD3' ' A' ' 72' ' ' PRO . . . 40.34 58.32 2.47 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.216 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.445 ' O ' HG23 ' A' ' 75' ' ' VAL . 58.3 Cg_endo -78.36 131.08 10.41 Favored 'Trans proline' 0 C--N 1.309 -1.542 0 C-N-CA 122.806 2.337 . . . . 0.0 112.332 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -87.65 -34.15 18.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.121 0.486 . . . . 0.0 110.881 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 75' ' ' VAL . 49.5 mmtt -61.85 -46.6 88.75 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.071 -178.746 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 75' ' ' VAL . 76.9 t 29.67 80.13 0.24 Allowed Pre-proline 0 N--CA 1.466 0.342 0 O-C-N 123.607 0.567 . . . . 0.0 111.115 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -56.01 125.83 20.37 Favored 'Trans proline' 0 C--N 1.311 -1.423 0 C-N-CA 121.872 1.715 . . . . 0.0 111.54 -178.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 79' ' ' ALA . 87.4 t -82.39 -19.11 10.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.887 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 67.4 p -42.08 -24.68 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.693 -179.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 77' ' ' VAL . . . -56.5 -22.97 36.3 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.78 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -68.48 -40.51 80.94 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.868 179.277 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 32.6 m -63.18 -41.59 99.23 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.915 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.437 ' CE1' HD11 ' A' ' 19' ' ' LEU . 30.5 m-85 -58.41 -47.51 83.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.781 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 56.2 t-105 -56.22 -48.54 76.25 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.513 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -66.67 -40.17 88.46 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.746 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 61.1 tp -67.53 -65.28 0.71 Allowed 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 120.972 0.415 . . . . 0.0 111.037 -179.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -52.55 -31.93 16.27 Favored 'Isoleucine or valine' 0 C--O 1.241 0.631 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.204 -179.406 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 46.6 tttt -59.57 -41.79 91.02 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.278 -179.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.23 -19.15 34.43 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-O 120.809 0.338 . . . . 0.0 111.568 179.537 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.553 HD13 ' O ' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -61.17 -46.51 90.22 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 119.887 -0.725 . . . . 0.0 110.124 -177.062 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 92' ' ' LYS . 16.2 mt -64.07 -42.19 94.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 C-N-CA 120.066 -0.653 . . . . 0.0 110.822 -179.272 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -41.4 -23.91 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.798 -177.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.514 ' O ' HG23 ' A' ' 95' ' ' VAL . 98.3 mttt -64.72 131.44 46.88 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.766 -0.373 . . . . 0.0 110.401 179.269 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -95.0 -9.6 33.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.525 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -95.02 24.29 4.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.488 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 92' ' ' LYS . 98.7 t -60.46 146.68 10.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.455 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.648 HD21 ' CZ ' ' A' ' 10' ' ' ARG . 0.6 OUTLIER -39.42 162.5 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.918 -179.468 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.523 ' O ' ' N ' ' A' ' 99' ' ' VAL . 69.8 Cg_exo -40.53 -21.76 0.1 OUTLIER 'Trans proline' 0 C--N 1.312 -1.393 0 C-N-CA 122.708 2.272 . . . . 0.0 112.307 179.392 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.563 ' HB2' ' H72' ' A' ' 1' ' ' MYR . 0.0 OUTLIER -44.69 -16.11 0.02 OUTLIER 'General case' 0 C--O 1.22 -0.475 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.402 179.717 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.523 ' N ' ' O ' ' A' ' 97' ' ' PRO . 67.4 t -58.86 -45.93 91.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.51 -178.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 59.6 ttp -64.01 -41.04 97.6 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.964 0.411 . . . . 0.0 110.526 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.471 ' O ' ' OE2' ' A' ' 48' ' ' GLU . . . -78.63 -18.75 54.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.575 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 98' ' ' GLN . . . -71.68 -45.8 60.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.546 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 51.6 t -57.49 -41.08 78.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.102 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.438 ' HB2' HG23 ' A' ' 109' ' ' ILE . . . -50.27 -43.34 53.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.718 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.472 ' NE2' ' O ' ' A' ' 102' ' ' ALA . 96.2 mm-40 56.74 -94.98 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.478 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 70.7 p -123.58 10.8 9.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.777 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -135.7 143.12 45.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.407 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -66.53 125.4 25.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.18 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.438 HG23 ' HB2' ' A' ' 104' ' ' ALA . 40.3 pt -53.24 -30.66 17.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.45 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.4 ' C ' ' H ' ' A' ' 112' ' ' SER . 66.5 mt -63.42 -38.86 92.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.211 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -77.34 17.79 0.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.566 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.4 ' H ' ' C ' ' A' ' 110' ' ' LEU . 11.1 t -59.79 -45.79 91.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.92 0.39 . . . . 0.0 110.785 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 35.2 m-20 -64.62 -150.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.341 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 39.5 t -61.64 -45.12 95.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.479 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.444 ' OE1' ' OE1' ' A' ' 119' ' ' GLU . 82.5 mt-30 -147.1 -163.32 1.73 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.415 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 38.6 p -68.71 173.12 5.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.303 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -67.59 -3.5 9.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.653 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 84.4 mt -85.18 4.02 36.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.32 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.444 ' OE1' ' OE1' ' A' ' 115' ' ' GLN . 47.8 tp10 -61.0 -43.62 98.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.44 -179.694 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 65.5 m80 -60.87 -40.72 94.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.502 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.458 ' CG ' ' N ' ' A' ' 122' ' ' HIS . 86.7 t60 -78.84 162.73 25.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.436 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.458 ' N ' ' CG ' ' A' ' 121' ' ' HIS . 49.8 m80 -117.23 143.22 46.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.446 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -107.87 142.75 37.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.328 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 60.8 m170 -106.75 121.52 44.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.459 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.527 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MYR . . . . . 0.908 H143 ' CZ ' ' A' ' 11' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.419 ' C ' ' N ' ' A' ' 4' ' ' GLU . . . . . . . . 0 CA--C 1.525 0.701 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 5' ' ' LEU . 98.8 mm-40 -45.39 -20.64 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.95 0.405 . . . . 0.0 110.698 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.551 ' HB3' ' H61' ' A' ' 1' ' ' MYR . 80.0 mm-40 -42.63 -22.36 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.435 179.743 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 3' ' ' GLN . 32.7 tp -42.81 -33.15 0.71 Allowed 'General case' 0 C--O 1.238 0.486 0 CA-C-O 121.195 0.521 . . . . 0.0 110.418 -179.494 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.7 m -56.08 -35.62 67.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.209 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 4' ' ' GLU . 30.0 mm100 -53.67 -45.03 70.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.307 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 -58.36 -48.13 81.58 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.777 0.323 . . . . 0.0 110.197 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.442 ' O ' ' OE2' ' A' ' 13' ' ' GLU . 79.1 tt0 -47.53 -34.42 7.59 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.194 0.521 . . . . 0.0 110.197 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 87.0 mtt-85 -79.31 -45.24 20.05 Favored 'General case' 0 C--O 1.217 -0.65 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.108 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.908 ' CZ ' H143 ' A' ' 1' ' ' MYR . 89.3 t80 -55.26 -44.85 75.97 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.146 -179.396 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.9 t -60.49 -52.84 56.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.737 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.532 ' N ' ' OE2' ' A' ' 13' ' ' GLU . 7.2 mp0 -67.0 -37.08 83.56 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.993 0.425 . . . . 0.0 111.057 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.541 ' O ' ' N ' ' A' ' 17' ' ' GLN . 71.0 tp60 -71.25 -74.01 0.16 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.284 -179.454 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.607 HD23 ' CE2' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -37.61 -48.33 1.02 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.077 0.465 . . . . 0.0 110.147 -178.588 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.594 ' HZ2' ' CD1' ' A' ' 31' ' ' LEU . 65.8 mttt -61.23 -40.57 94.51 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.708 178.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.541 ' N ' ' O ' ' A' ' 14' ' ' GLN . 13.1 mm-40 -64.45 -57.51 9.06 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.278 0.561 . . . . 0.0 109.492 179.527 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.708 ' O ' HG22 ' A' ' 21' ' ' THR . . . -54.22 -14.45 1.15 Allowed 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.811 179.547 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.735 HD22 HG21 ' A' ' 24' ' ' VAL . 3.2 mt -85.16 -50.26 7.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.425 178.7 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -43.57 -33.15 1.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.118 -179.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.708 HG22 ' O ' ' A' ' 18' ' ' ALA . 5.3 t -61.01 -35.12 76.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.598 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 19' ' ' LEU . 61.1 mtp85 -72.34 -10.01 59.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.58 -179.642 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 106.65 29.93 4.51 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.735 HG21 HD22 ' A' ' 19' ' ' LEU . 7.8 t -106.18 168.34 2.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 121.128 -0.229 . . . . 0.0 110.409 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.539 ' N ' HG12 ' A' ' 24' ' ' VAL . 88.8 tttt -115.68 138.01 51.52 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.381 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.773 ' O ' HG23 ' A' ' 26' ' ' VAL . 14.4 m -110.03 91.63 1.8 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-O 121.44 0.638 . . . . 0.0 110.834 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.534 ' HD2' ' HB3' ' A' ' 29' ' ' ALA . 45.2 pttt -109.74 165.27 11.82 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.057 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -63.94 -36.76 85.0 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.18 0.515 . . . . 0.0 110.239 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.534 ' HB3' ' HD2' ' A' ' 27' ' ' LYS . . . -59.36 -24.35 63.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.647 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -72.03 -40.58 68.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.698 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.594 ' CD1' ' HZ2' ' A' ' 16' ' ' LYS . 2.3 mp -61.54 -39.34 90.72 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.001 0.429 . . . . 0.0 110.308 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 49.1 mt -56.06 -46.17 79.02 Favored 'General case' 0 C--N 1.31 -1.136 0 C-N-CA 120.055 -0.658 . . . . 0.0 110.962 -178.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.466 ' O ' ' CB ' ' A' ' 37' ' ' PHE . 88.2 tttt -80.55 -53.36 6.63 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -178.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.605 ' CZ ' ' CE1' ' A' ' 82' ' ' TYR . 0.9 OUTLIER -60.92 -37.96 84.08 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -178.323 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.474 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 6.9 t80 -72.38 -51.2 21.55 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.981 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -72.89 -20.21 61.13 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.449 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.466 ' CB ' ' O ' ' A' ' 33' ' ' LYS . 1.7 t80 -63.45 -61.32 2.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.044 -178.671 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.514 ' O ' ' N ' ' A' ' 42' ' ' CYS . 1.0 OUTLIER -68.15 -32.37 55.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.935 179.734 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -58.29 -36.48 73.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.616 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -41.58 -61.12 1.13 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.704 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.453 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 12.9 p -105.0 -6.77 19.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.752 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.514 ' N ' ' O ' ' A' ' 38' ' ' VAL . 19.5 p 38.9 57.61 5.71 Favored Pre-proline 0 C--N 1.332 -0.155 0 CA-C-O 121.072 0.463 . . . . 0.0 110.728 -179.307 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.527 ' C ' ' H ' ' A' ' 45' ' ' PHE . 65.3 Cg_endo -78.13 -17.14 13.62 Favored 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 122.559 2.173 . . . . 0.0 112.195 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.885 ' NE1' H141 ' A' ' 1' ' ' MYR . 0.2 OUTLIER -70.8 19.75 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.119 -179.503 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.527 ' H ' ' C ' ' A' ' 43' ' ' PRO . 2.9 m-85 54.28 85.05 0.2 Allowed Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.174 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -70.71 -8.73 24.28 Favored 'Trans proline' 0 C--N 1.31 -1.49 0 C-N-CA 122.746 2.297 . . . . 0.0 112.153 -178.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.6 ' O ' ' H42' ' A' ' 1' ' ' MYR . 86.2 mt-30 -81.21 -57.25 3.59 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.486 -0.486 . . . . 0.0 110.678 -179.359 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.775 ' O ' ' H51' ' A' ' 1' ' ' MYR . 9.0 pt-20 -92.52 -24.45 18.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.814 178.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.603 ' O ' ' H92' ' A' ' 1' ' ' MYR . . . 64.91 71.06 0.93 Allowed Glycine 0 CA--C 1.527 0.784 0 N-CA-C 110.259 -1.137 . . . . 0.0 110.259 -178.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.5 t -131.61 169.95 15.42 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 120.804 0.335 . . . . 0.0 111.023 -179.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.667 HG23 ' HE1' ' A' ' 44' ' ' TRP . 1.1 mt -103.5 143.25 15.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.138 -179.704 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -137.79 121.0 16.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.097 0.475 . . . . 0.0 110.132 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 29.7 mm -70.89 -41.41 77.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.833 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -66.56 -51.86 51.94 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.081 -179.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 36.8 ttm-85 -62.07 -41.78 98.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.228 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 23.8 t-105 -52.63 -37.99 59.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.593 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -64.35 -41.89 96.52 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.327 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.474 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 94.0 mtt-85 -58.74 -53.44 58.34 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.987 -179.37 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.1 p -64.09 -38.26 81.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.408 179.181 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -61.87 -48.25 84.99 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -69.38 -36.99 77.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.888 0.375 . . . . 0.0 110.783 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.474 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 90.4 m -63.39 -36.23 83.02 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.686 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -83.16 -41.98 17.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.965 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -63.37 -39.55 94.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.386 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.751 ' O ' HG23 ' A' ' 69' ' ' THR . 17.3 t0 -66.54 -52.1 49.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.765 179.649 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.457 ' O ' ' OG1' ' A' ' 69' ' ' THR . 64.6 t80 -62.48 -42.1 99.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.595 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -68.73 -39.38 80.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.818 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.474 ' O ' ' N ' ' A' ' 71' ' ' GLY . 29.6 t30 -62.04 -40.68 96.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.196 -179.39 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.751 HG23 ' O ' ' A' ' 65' ' ' ASP . 73.5 p -48.67 -20.5 0.47 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.821 -179.433 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -90.47 15.06 11.44 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.785 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 40.18 58.98 2.27 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.728 -0.949 . . . . 0.0 110.728 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.582 ' O ' HG23 ' A' ' 75' ' ' VAL . 56.7 Cg_endo -78.85 125.74 6.84 Favored 'Trans proline' 0 C--N 1.309 -1.545 0 C-N-CA 122.856 2.371 . . . . 0.0 112.287 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -85.94 -25.35 26.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.554 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.492 ' O ' ' C ' ' A' ' 75' ' ' VAL . 53.2 mmtt -67.04 -47.35 71.64 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.953 -179.166 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 72' ' ' PRO . 98.5 t 26.89 82.73 0.18 Allowed Pre-proline 0 N--CA 1.463 0.179 0 O-C-N 123.889 0.743 . . . . 0.0 110.915 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -57.16 126.84 23.42 Favored 'Trans proline' 0 C--N 1.308 -1.596 0 C-N-CA 122.527 2.152 . . . . 0.0 111.494 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 43.9 t -81.63 -19.5 11.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.887 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.411 HG23 ' H ' ' A' ' 78' ' ' THR . 30.5 p -45.3 -31.41 1.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.179 -179.524 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.76 -29.94 65.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.125 0.488 . . . . 0.0 110.712 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -73.44 -36.92 65.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.962 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.7 m -65.2 -39.74 93.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.488 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.612 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 6.5 m-85 -61.22 -50.89 71.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.59 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 33.7 t90 -56.27 -39.3 72.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.986 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -61.99 -54.89 35.3 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.229 -179.195 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 57.7 tp -63.56 -47.98 79.32 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.99 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -60.37 -40.4 83.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.517 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 49.2 tttt -52.93 -47.52 67.97 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.669 -178.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.12 -17.73 39.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.649 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 37.1 tp -60.23 -41.68 93.62 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.707 -176.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 37.1 mt -62.26 -42.49 95.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.408 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -57.75 -17.34 14.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.553 -179.045 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -62.88 130.96 47.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.423 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -64.26 -36.45 84.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.861 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 69.8 tt0 -69.13 55.85 0.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.499 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 35.8 m -68.54 140.71 18.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.345 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.11 159.14 30.6 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.63 -179.484 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.463 ' C ' ' N ' ' A' ' 99' ' ' VAL . 12.1 Cg_endo -54.72 -11.67 3.66 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 123.111 2.541 . . . . 0.0 112.144 179.48 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -46.94 -15.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.609 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.799 ' O ' HG23 ' A' ' 103' ' ' VAL . 92.4 t -60.73 -47.34 93.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.722 -179.397 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 94.6 mtp -65.66 -40.13 92.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.786 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -79.11 -13.01 60.01 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.035 0.445 . . . . 0.0 110.79 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.435 ' CB ' ' OE2' ' A' ' 48' ' ' GLU . . . -91.88 -16.13 27.12 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.366 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.799 HG23 ' O ' ' A' ' 99' ' ' VAL . 99.4 t -75.11 -0.93 2.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.8 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.13 -36.92 76.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.733 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -137.38 117.04 12.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.542 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 69.2 p -105.63 4.41 30.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.64 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -107.79 163.42 13.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.547 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -85.1 124.35 31.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.198 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 40.7 pt -52.08 -23.04 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.583 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 96.9 mt -63.68 -42.55 98.01 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.349 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -65.74 -33.39 75.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.504 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 73.7 m -57.95 -47.77 81.93 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.809 -179.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -61.79 -46.37 89.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.566 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 66.8 p -162.44 160.52 26.41 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.454 179.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -103.42 12.73 34.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.89 0.376 . . . . 0.0 110.545 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 72.5 p -66.27 -19.62 65.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.538 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -78.19 -79.2 0.13 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.805 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 118' ' ' LEU . 38.3 mt -63.44 -40.21 96.53 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.82 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 55.06 90.42 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.302 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 54.6 t60 -132.83 143.31 49.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.419 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -118.71 148.62 42.57 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.421 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 61.3 m-70 -97.75 138.15 35.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.498 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -58.7 -47.0 86.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.617 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -113.63 122.28 46.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.521 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 71.6 t60 . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 118.093 -0.956 . . . . 0.0 110.548 179.847 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MYR . . . . . 0.877 H143 ' CE2' ' A' ' 11' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.691 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 5' ' ' LEU . 70.9 tp60 -58.58 -29.96 66.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.739 0.304 . . . . 0.0 110.382 -179.646 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.721 ' OE1' ' H52' ' A' ' 1' ' ' MYR . 97.3 mt-10 -43.86 -21.96 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.446 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 3' ' ' GLN . 51.0 tp -42.37 -33.65 0.68 Allowed 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.057 0.456 . . . . 0.0 110.378 -179.602 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.4 p -57.72 -32.01 66.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.207 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.719 ' OE1' ' H72' ' A' ' 1' ' ' MYR . 87.4 mt-30 -54.53 -41.72 70.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.093 179.549 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -63.45 -47.2 82.81 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.306 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -45.58 -34.13 3.19 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.547 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -76.53 -46.61 25.78 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.189 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.877 ' CE2' H143 ' A' ' 1' ' ' MYR . 66.5 t80 -50.9 -45.14 60.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.482 -179.426 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.506 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 15.5 t -63.25 -46.65 95.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.827 0.346 . . . . 0.0 110.845 179.399 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -66.73 -39.58 88.04 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.696 -0.401 . . . . 0.0 110.364 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.522 ' O ' ' N ' ' A' ' 17' ' ' GLN . 72.0 tp60 -74.06 -73.28 0.23 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.391 -178.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.524 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -37.37 -51.37 1.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.662 -178.826 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.506 ' CG ' ' O ' ' A' ' 12' ' ' VAL . 5.2 mmpp? -60.33 -37.7 81.45 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.603 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.522 ' N ' ' O ' ' A' ' 14' ' ' GLN . 46.7 mt-30 -68.62 -57.09 6.24 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.33 179.304 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.69 -16.83 1.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.345 179.177 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.477 HD11 ' CZ ' ' A' ' 82' ' ' TYR . 10.3 mt -84.22 -51.73 6.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.1 178.594 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -46.1 -42.14 13.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.508 -179.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.429 ' C ' ' H ' ' A' ' 23' ' ' GLY . 1.7 t -66.19 -30.22 70.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.748 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.4 mmm-85 -75.63 15.81 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.429 ' H ' ' C ' ' A' ' 21' ' ' THR . . . 80.5 25.25 57.2 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.655 HG12 ' N ' ' A' ' 25' ' ' LYS . 26.3 t -106.31 169.93 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.719 0.295 . . . . 0.0 110.777 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.655 ' N ' HG12 ' A' ' 24' ' ' VAL . 99.1 mttt -132.22 137.1 47.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.302 179.199 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.8 t -123.06 98.73 5.88 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.927 -179.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.509 ' HG2' ' H ' ' A' ' 28' ' ' TYR . 10.3 ttmt -91.33 164.46 13.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.227 178.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.704 ' CE1' HD11 ' A' ' 32' ' ' LEU . 92.5 t80 -50.6 -45.55 57.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.722 0.296 . . . . 0.0 110.663 179.665 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.32 -21.52 66.31 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.556 178.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -66.85 -45.11 79.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.76 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.551 ' O ' ' HB2' ' A' ' 35' ' ' PHE . 5.5 mp -64.39 -40.83 96.58 Favored 'General case' 0 C--O 1.208 -1.083 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.974 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.704 HD11 ' CE1' ' A' ' 28' ' ' TYR . 55.3 mt -57.71 -44.52 85.99 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.768 -179.067 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -74.25 -51.83 14.15 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.03 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.465 ' CE2' ' CE1' ' A' ' 82' ' ' TYR . 44.6 t80 -62.7 -37.59 87.1 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.337 -178.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.551 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 2.8 t80 -71.6 -46.32 59.55 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.88 179.332 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -71.78 -21.24 61.75 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.107 0.48 . . . . 0.0 110.385 -179.273 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.67 -59.65 3.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.091 -179.317 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.542 ' O ' ' N ' ' A' ' 42' ' ' CYS . 2.9 m -69.81 -38.5 76.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.032 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -57.52 -31.44 66.06 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.439 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -44.74 -60.82 1.83 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.682 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 42' ' ' CYS . 19.5 p -112.15 -1.96 15.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.749 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.542 ' N ' ' O ' ' A' ' 38' ' ' VAL . 23.1 t 36.68 65.64 2.21 Favored Pre-proline 0 C--O 1.221 -0.422 0 CA-C-O 121.234 0.54 . . . . 0.0 110.669 -179.221 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.537 ' C ' ' H ' ' A' ' 45' ' ' PHE . 11.9 Cg_exo -68.44 -19.86 42.57 Favored 'Trans proline' 0 C--N 1.297 -2.183 0 C-N-CA 123.118 2.545 . . . . 0.0 112.141 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.713 ' NE1' H142 ' A' ' 1' ' ' MYR . 1.2 m-90 -70.68 22.81 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.77 -179.652 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.545 ' CE2' ' NE ' ' A' ' 55' ' ' ARG . 6.1 m-85 55.43 96.43 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.288 179.652 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -67.75 -7.84 20.67 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 123.003 2.469 . . . . 0.0 112.089 -178.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -85.74 -58.48 2.64 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.049 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.761 ' O ' ' H51' ' A' ' 1' ' ' MYR . 6.1 pt-20 -93.4 -22.22 19.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.948 179.611 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.717 ' O ' ' H71' ' A' ' 1' ' ' MYR . . . 59.48 75.8 0.25 Allowed Glycine 0 CA--C 1.527 0.786 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 -178.613 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.413 ' O ' ' CD1' ' A' ' 44' ' ' TRP . 12.4 t -139.77 169.09 18.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.814 0.34 . . . . 0.0 110.791 -179.337 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.508 HG23 ' NE1' ' A' ' 44' ' ' TRP . 1.4 mt -90.88 141.12 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.064 179.438 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -135.88 123.07 21.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.258 0.551 . . . . 0.0 110.614 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 40.3 mm -71.55 -39.92 70.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.919 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -66.51 -53.65 32.6 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.304 -178.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.545 ' NE ' ' CE2' ' A' ' 45' ' ' PHE . 93.4 mtt-85 -63.12 -34.79 78.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.701 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 35.5 t-105 -55.08 -38.87 68.64 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.2 0.524 . . . . 0.0 110.443 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -66.95 -38.98 87.13 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.312 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.468 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 23.7 mmt180 -59.81 -51.83 68.07 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -179.686 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.43 HG13 ' N ' ' A' ' 60' ' ' GLY . 3.2 p -64.14 -42.45 95.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.475 179.264 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.43 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -60.38 -43.92 98.14 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -71.73 -35.99 70.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.71 0.29 . . . . 0.0 110.422 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.468 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 89.0 m -64.56 -39.4 93.68 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.721 -179.646 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -78.94 -43.19 25.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.042 179.578 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 50.3 tp60 -64.22 -37.92 89.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.335 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.558 ' O ' HG23 ' A' ' 69' ' ' THR . 49.0 t0 -64.38 -52.6 57.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.712 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.458 ' O ' ' OG1' ' A' ' 69' ' ' THR . 6.3 m-85 -65.55 -39.03 91.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.724 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.417 ' CD2' ' HG3' ' A' ' 72' ' ' PRO . 66.9 t80 -65.96 -39.4 90.39 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.655 -179.627 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.468 ' O ' ' N ' ' A' ' 71' ' ' GLY . 19.7 m-20 -62.29 -42.07 99.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.086 -178.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.558 HG23 ' O ' ' A' ' 65' ' ' ASP . 81.2 p -48.4 -26.79 2.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.342 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -82.95 14.47 3.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.76 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 38.0 59.31 1.45 Allowed Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.203 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.427 ' O ' HG23 ' A' ' 75' ' ' VAL . 56.2 Cg_endo -78.02 130.12 10.15 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.851 2.367 . . . . 0.0 112.178 -179.713 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -88.53 -27.03 21.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.632 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.519 ' HD2' ' H ' ' A' ' 74' ' ' LYS . 9.8 mptt -67.31 -47.36 70.81 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 -178.743 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.518 ' C ' ' O ' ' A' ' 74' ' ' LYS . 94.8 t 27.16 78.7 0.24 Allowed Pre-proline 0 C--O 1.233 0.186 0 O-C-N 123.725 0.641 . . . . 0.0 110.812 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -55.66 125.75 20.14 Favored 'Trans proline' 0 C--N 1.308 -1.57 0 C-N-CA 122.534 2.156 . . . . 0.0 111.667 -179.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 92.6 t -81.99 -19.67 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.026 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 70.7 p -44.85 -26.36 0.4 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.407 -179.28 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.2 -24.0 51.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.683 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.411 ' CE1' ' ND2' ' A' ' 84' ' ' ASN . 40.1 t80 -67.05 -38.16 85.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 179.608 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 44.6 m -61.97 -39.69 93.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.843 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.477 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 30.4 m-85 -60.75 -48.57 81.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.743 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.42 ' CE3' ' OD1' ' A' ' 84' ' ' ASN . 37.2 t90 -56.17 -50.14 72.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.896 -179.582 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.42 ' OD1' ' CE3' ' A' ' 83' ' ' TRP . 89.1 m-20 -65.77 -40.69 92.29 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.347 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 63.4 tp -66.62 -64.78 0.78 Allowed 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.238 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -51.86 -34.71 17.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.1 0.476 . . . . 0.0 110.3 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 42.1 tttt -57.12 -43.55 82.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.671 -178.078 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.434 ' OE2' ' O ' ' A' ' 88' ' ' GLU . 0.5 OUTLIER -82.87 -20.02 36.34 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.657 -179.574 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.616 HD13 ' O ' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -60.56 -45.62 93.23 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.189 -177.53 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 7.3 mt -62.24 -43.51 98.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.135 -179.112 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -55.65 -38.23 69.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.457 -179.058 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.41 ' C ' ' H ' ' A' ' 94' ' ' GLU . 66.9 mmtt -64.46 142.47 58.41 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.587 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -66.95 1.3 1.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.586 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.41 ' H ' ' C ' ' A' ' 92' ' ' LYS . 72.7 tt0 -73.02 55.87 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.492 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.2 m -100.88 135.41 37.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.342 -179.609 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.536 ' O ' ' N ' ' A' ' 98' ' ' GLN . 4.8 m-20 -76.27 160.39 77.95 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.199 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.524 ' O ' ' N ' ' A' ' 99' ' ' VAL . 54.6 Cg_exo -42.64 -13.99 0.04 OUTLIER 'Trans proline' 0 C--N 1.308 -1.599 0 C-N-CA 122.882 2.388 . . . . 0.0 112.15 179.193 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.536 ' N ' ' O ' ' A' ' 96' ' ' ASN . 4.7 pt20 -46.17 -13.11 0.02 OUTLIER 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.623 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.747 ' O ' HG23 ' A' ' 103' ' ' VAL . 68.9 t -60.55 -46.37 95.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.531 -179.343 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 70.0 mtm -67.93 -41.32 82.74 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.97 0.414 . . . . 0.0 110.573 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.54 -14.33 59.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.591 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.458 ' CB ' ' OE2' ' A' ' 48' ' ' GLU . . . -91.22 -27.39 18.5 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.099 -179.643 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 99' ' ' VAL . 45.2 t -59.38 -46.31 92.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.229 -179.257 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.31 -31.22 70.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.525 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -83.61 -107.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.632 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.473 ' O ' HG22 ' A' ' 106' ' ' THR . 27.8 m 40.47 83.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.535 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -54.36 147.66 13.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.451 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -85.57 117.44 24.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.275 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.438 ' O ' ' OG ' ' A' ' 112' ' ' SER . 38.6 pt -51.98 -24.01 4.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.554 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 96.7 mt -65.11 -42.22 94.18 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.414 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -66.12 -38.35 87.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.562 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 109' ' ' ILE . 79.9 p -60.48 -45.32 94.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.586 -179.461 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 43.2 t-20 -68.07 -41.51 81.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.587 179.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 54.0 p -162.41 139.85 8.27 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.551 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -90.62 28.72 1.44 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.417 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 72.9 p -62.17 -43.94 97.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.554 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -57.03 -50.29 73.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.497 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 95.5 mt -129.22 132.36 47.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.64 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 49.6 tp10 -107.31 123.07 47.79 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.378 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -72.9 145.32 46.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.688 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -100.08 131.83 45.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.472 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 54.3 t-80 -64.8 -43.17 94.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.502 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -104.18 114.9 29.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.569 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.422 ' O ' ' OXT' ' A' ' 125' ' ' HIS . 25.1 t-80 -84.59 127.76 34.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.623 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.519 ' CG ' ' O ' ' A' ' 125' ' ' HIS . 55.0 t-80 . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.499 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MYR . . . . . 0.902 H143 ' CZ ' ' A' ' 11' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.722 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -65.05 -25.37 67.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 0.0 110.585 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.729 ' OE2' ' H32' ' A' ' 1' ' ' MYR . 98.8 mt-10 -54.43 -20.32 7.29 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.535 179.278 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 5' ' ' LEU . 35.1 tp -43.98 -34.77 1.81 Allowed 'General case' 0 C--O 1.242 0.672 0 CA-C-O 121.322 0.582 . . . . 0.0 110.52 -179.276 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.2 m -52.17 -33.63 41.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.101 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.517 ' HG2' ' H81' ' A' ' 1' ' ' MYR . 67.6 tp60 -53.38 -43.09 67.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.268 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 61.0 m80 -61.02 -48.76 80.28 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.259 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -49.46 -31.52 10.07 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-O 121.532 0.682 . . . . 0.0 110.626 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 76.3 mmt-85 -82.5 -48.78 10.65 Favored 'General case' 0 C--O 1.213 -0.845 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.024 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.902 ' CZ ' H143 ' A' ' 1' ' ' MYR . 92.6 t80 -52.87 -42.05 64.88 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.946 0.403 . . . . 0.0 110.168 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.1 t -62.09 -51.4 72.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 C-N-CA 120.621 -0.431 . . . . 0.0 110.825 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -67.8 -38.36 83.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.628 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.581 ' O ' ' N ' ' A' ' 17' ' ' GLN . 66.3 tp60 -71.27 -73.3 0.18 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.637 -179.442 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.701 HD23 ' CE2' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -37.29 -44.6 0.61 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.949 0.404 . . . . 0.0 110.159 -178.715 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.624 ' HZ2' ' CD1' ' A' ' 31' ' ' LEU . 75.4 mttt -62.12 -39.89 94.07 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.05 0.453 . . . . 0.0 110.942 178.768 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.581 ' N ' ' O ' ' A' ' 14' ' ' GLN . 61.5 mt-30 -64.39 -57.12 10.22 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.779 179.035 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.5 ' O ' ' CG2' ' A' ' 21' ' ' THR . . . -55.61 -15.49 2.99 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.419 0.628 . . . . 0.0 110.289 179.141 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 22' ' ' ARG . 8.8 mt -87.88 -53.11 4.92 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.307 178.378 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -41.19 -38.78 1.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.834 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.5 ' CG2' ' O ' ' A' ' 18' ' ' ALA . 0.6 OUTLIER -60.91 -34.84 75.29 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.74 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 19' ' ' LEU . 15.0 mmm180 -69.39 -9.51 53.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.728 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.09 29.52 4.54 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.464 HG12 ' H ' ' A' ' 25' ' ' LYS . 3.1 t -106.98 167.05 3.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.532 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.464 ' H ' HG12 ' A' ' 24' ' ' VAL . 49.3 mtmt -110.56 147.55 33.96 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.346 179.302 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.788 ' O ' HG23 ' A' ' 26' ' ' VAL . 16.4 m -129.02 85.88 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 121.392 0.615 . . . . 0.0 110.683 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.535 ' HD3' ' H ' ' A' ' 29' ' ' ALA . 11.0 tmtt? -109.84 165.41 11.72 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.945 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -53.97 -41.76 68.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 110.605 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.535 ' H ' ' HD3' ' A' ' 27' ' ' LYS . . . -57.26 -22.55 42.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.102 0.477 . . . . 0.0 110.598 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -71.33 -40.79 70.51 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.615 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.624 ' CD1' ' HZ2' ' A' ' 16' ' ' LYS . 4.2 mp -64.73 -42.54 95.15 Favored 'General case' 0 C--O 1.211 -0.926 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.199 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.5 mt -58.14 -50.25 74.14 Favored 'General case' 0 C--N 1.317 -0.848 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.007 -178.397 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -74.15 -52.85 11.24 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.181 -178.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -61.01 -41.68 96.99 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.08 -177.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.498 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 6.4 t80 -72.96 -43.38 62.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.898 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.462 ' OD1' ' O ' ' A' ' 36' ' ' ASP . 65.7 t0 -68.79 -34.82 76.18 Favored 'General case' 0 N--CA 1.458 -0.066 0 CA-C-O 121.039 0.447 . . . . 0.0 110.65 -179.099 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -57.07 -50.65 72.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.004 -178.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.54 ' O ' ' N ' ' A' ' 42' ' ' CYS . 14.3 m -71.31 -41.5 74.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.975 179.557 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.405 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 86.7 tttt -60.41 -25.59 66.05 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.418 -179.563 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -55.51 -55.76 28.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.043 -178.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.3 p -113.05 -3.2 14.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.845 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.54 ' N ' ' O ' ' A' ' 38' ' ' VAL . 3.0 m 39.48 60.97 5.93 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.602 -179.124 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.431 ' HD3' ' N ' ' A' ' 42' ' ' CYS . 58.8 Cg_endo -80.77 -12.69 12.13 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.901 2.401 . . . . 0.0 112.505 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.834 ' NE1' H141 ' A' ' 1' ' ' MYR . 0.3 OUTLIER -77.76 21.98 0.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.831 -179.199 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.463 ' CE2' ' NE ' ' A' ' 55' ' ' ARG . 4.8 m-85 54.16 82.24 0.25 Allowed Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.391 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -69.65 -5.56 16.42 Favored 'Trans proline' 0 C--N 1.31 -1.492 0 C-N-CA 122.836 2.358 . . . . 0.0 112.131 -178.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -83.18 -57.13 3.4 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.544 -179.566 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.793 ' O ' ' H51' ' A' ' 1' ' ' MYR . 7.8 pt-20 -91.85 -23.4 19.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.764 178.755 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.622 ' O ' ' H71' ' A' ' 1' ' ' MYR . . . 65.89 73.48 0.61 Allowed Glycine 0 CA--C 1.528 0.846 0 N-CA-C 110.656 -0.977 . . . . 0.0 110.656 -178.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.9 t -141.93 169.29 17.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.783 0.325 . . . . 0.0 110.768 -179.204 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.593 HG23 ' HE1' ' A' ' 44' ' ' TRP . 1.2 mt -90.43 143.85 10.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.101 179.557 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -140.16 120.36 13.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.286 0.565 . . . . 0.0 110.252 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.0 mm -72.6 -40.69 62.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.085 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -63.01 -56.66 15.07 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.22 -178.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.463 ' NE ' ' CE2' ' A' ' 45' ' ' PHE . 94.9 mtt-85 -62.92 -34.51 77.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.727 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 25.4 t-105 -57.1 -36.05 70.15 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 121.103 0.478 . . . . 0.0 110.538 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 76.6 ttt-85 -68.02 -41.17 82.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.333 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.506 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 84.2 mtt85 -58.48 -50.8 72.42 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.353 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.4 ' H ' HG12 ' A' ' 59' ' ' VAL . 3.2 p -64.19 -37.04 78.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.606 179.393 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -63.31 -45.71 94.5 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -71.12 -40.32 71.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.886 0.374 . . . . 0.0 110.631 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.506 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 89.1 m -60.52 -37.16 80.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.717 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -83.88 -38.85 20.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.973 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -63.37 -42.09 98.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.771 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.754 ' O ' HG23 ' A' ' 69' ' ' THR . 0.6 OUTLIER -69.5 -44.53 70.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.672 -179.667 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.461 ' N ' ' CG ' ' A' ' 65' ' ' ASP . 59.2 t80 -66.72 -43.72 83.5 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.668 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.404 ' CE2' ' CG ' ' A' ' 72' ' ' PRO . 62.6 t80 -67.1 -38.5 85.76 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.63 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.484 ' O ' ' N ' ' A' ' 71' ' ' GLY . 88.1 m-20 -61.57 -41.17 97.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.048 -178.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.754 HG23 ' O ' ' A' ' 65' ' ' ASP . 82.4 p -48.02 -24.22 1.02 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.813 -179.365 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -86.06 14.98 5.46 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.745 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 39.32 59.07 1.92 Allowed Glycine 0 CA--C 1.527 0.815 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.039 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.472 ' O ' HG23 ' A' ' 75' ' ' VAL . 58.1 Cg_endo -79.22 129.7 8.84 Favored 'Trans proline' 0 C--N 1.307 -1.649 0 C-N-CA 122.806 2.337 . . . . 0.0 112.336 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -88.57 -29.5 19.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.929 0.395 . . . . 0.0 110.48 179.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.509 ' O ' ' C ' ' A' ' 75' ' ' VAL . 48.8 mmtt -64.61 -46.49 82.4 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.856 -178.332 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.509 ' C ' ' O ' ' A' ' 74' ' ' LYS . 89.4 t 26.02 83.84 0.15 Allowed Pre-proline 0 CA--C 1.529 0.14 0 O-C-N 123.968 0.793 . . . . 0.0 110.779 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -55.5 125.57 19.58 Favored 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 122.372 2.048 . . . . 0.0 111.605 -179.068 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 93.0 t -82.71 -18.07 10.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.89 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 25.5 p -49.28 -25.43 2.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.194 -179.182 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.8 -27.01 48.99 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.009 0.433 . . . . 0.0 110.687 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.637 ' CE1' ' ND2' ' A' ' 84' ' ' ASN . 51.0 t80 -71.3 -34.09 70.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.99 179.672 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.0 t -68.62 -42.61 77.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.771 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.464 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 5.3 m-85 -57.98 -53.77 54.5 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.701 -179.286 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 42.0 t90 -58.3 -39.58 79.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.072 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.637 ' ND2' ' CE1' ' A' ' 80' ' ' PHE . 51.7 m-20 -64.43 -46.85 81.4 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.32 -179.085 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 63.8 tp -68.75 -50.38 51.01 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.727 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -60.98 -38.36 79.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.291 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 64.7 tttt -54.52 -47.72 72.79 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.554 -178.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.44 -18.17 36.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.115 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 33.9 tp -60.13 -40.64 90.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.402 -176.072 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 41.5 mt -61.22 -42.42 93.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.459 -179.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -54.47 -40.3 68.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.342 -178.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.487 ' C ' ' H ' ' A' ' 94' ' ' GLU . 96.9 mttt -65.74 144.29 56.98 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.749 179.401 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -67.7 7.89 0.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.625 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.487 ' H ' ' C ' ' A' ' 92' ' ' LYS . 74.8 tt0 -72.33 54.68 0.32 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.387 -179.73 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.0 m -108.62 141.45 23.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.226 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.612 ' ND2' ' N ' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -83.8 171.16 11.99 Favored Pre-proline 0 N--CA 1.452 -0.35 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.83 -179.463 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.529 ' O ' ' N ' ' A' ' 99' ' ' VAL . 51.9 Cg_exo -49.17 -13.1 0.3 Allowed 'Trans proline' 0 C--N 1.31 -1.472 0 C-N-CA 122.876 2.384 . . . . 0.0 112.188 179.589 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.532 ' NE2' ' OD1' ' A' ' 96' ' ' ASN . 0.5 OUTLIER -45.9 -13.51 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.593 179.43 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.691 ' O ' HG23 ' A' ' 103' ' ' VAL . 69.2 t -60.1 -49.34 84.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.686 -179.124 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 60.0 ttp -63.19 -44.79 94.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.645 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.62 -14.43 60.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.026 0.441 . . . . 0.0 110.757 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 98' ' ' GLN . . . -91.56 -27.73 18.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.202 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 99' ' ' VAL . 53.1 t -59.93 -45.61 94.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.323 -179.451 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.01 -37.65 74.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.561 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -65.99 -39.62 90.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.458 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 33.2 m -66.27 135.99 55.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.655 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -102.69 142.56 33.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.492 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 111' ' ' LYS . 99.5 mt-10 -68.51 119.39 12.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.48 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 46.1 pt -41.97 -26.7 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.702 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 108' ' ' GLU . 96.0 mt -63.83 -41.65 97.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.626 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 108' ' ' GLU . 88.9 tttt -62.45 -32.35 73.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.551 179.741 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 111' ' ' LYS . 20.8 t -39.23 -70.86 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.759 -179.549 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 -63.95 -50.63 67.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.779 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 97.8 p -163.99 164.46 23.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.63 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.429 ' O ' ' O ' ' A' ' 118' ' ' LEU . 86.6 mt-30 -77.0 78.47 3.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.989 0.423 . . . . 0.0 110.614 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.7 m -64.07 -43.9 94.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.27 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -56.77 -49.84 74.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.604 -179.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.429 ' O ' ' O ' ' A' ' 115' ' ' GLN . 91.3 mt -117.47 127.4 53.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.657 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -107.18 122.18 45.99 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.372 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -122.27 148.92 44.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.574 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.451 ' O ' ' ND1' ' A' ' 125' ' ' HIS . 99.0 m-70 -135.64 144.84 46.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.583 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.425 ' O ' ' O ' ' A' ' 125' ' ' HIS . 93.3 m-70 -64.71 -43.99 91.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.48 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -60.19 -41.65 93.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.599 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -60.97 -42.46 98.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.659 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.466 ' CG ' ' O ' ' A' ' 125' ' ' HIS . 37.5 p-80 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.532 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MYR . . . . . 0.853 H141 ' HE1' ' A' ' 44' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.439 ' C ' ' O1 ' ' A' ' 1' ' ' MYR . . . . . . . . 0 C--O 1.226 -0.358 0 N-CA-C 110.651 -0.98 . . . . 0.0 110.651 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -39.23 -52.49 1.95 Allowed 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.446 -177.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 5' ' ' LEU . 80.7 tt0 -85.91 -64.6 1.13 Allowed 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.706 178.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.738 HD13 ' N ' ' A' ' 6' ' ' SER . 1.9 tm? -39.17 -66.54 0.28 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.709 -176.816 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.738 ' N ' HD13 ' A' ' 5' ' ' LEU . 71.0 m -44.99 -39.14 5.29 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 120.159 -0.616 . . . . 0.0 110.444 -177.406 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.457 ' O ' ' CB ' ' A' ' 11' ' ' TYR . 31.5 tt0 -48.29 -60.88 2.31 Favored 'General case' 0 C--O 1.214 -0.788 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.836 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -54.26 -43.01 70.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.891 0.377 . . . . 0.0 111.223 -179.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -60.06 -63.35 1.33 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.431 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.756 HH22 ' H ' ' A' ' 96' ' ' ASN . 80.2 mtp180 -66.23 -43.37 86.79 Favored 'General case' 0 C--O 1.206 -1.185 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.71 -179.305 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.457 ' CB ' ' O ' ' A' ' 7' ' ' GLN . 48.0 t80 -55.38 -56.35 21.1 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.216 0.531 . . . . 0.0 110.726 -179.21 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.75 -51.97 66.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 C-N-CA 120.074 -0.65 . . . . 0.0 111.928 -179.059 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -69.51 -48.25 61.15 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -178.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.518 ' O ' ' N ' ' A' ' 17' ' ' GLN . 65.1 tp60 -68.59 -72.39 0.18 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.255 -178.734 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.436 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -38.04 -49.91 1.32 Allowed 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.877 -177.858 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -63.87 -39.09 93.38 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.019 -0.673 . . . . 0.0 111.285 178.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.518 ' N ' ' O ' ' A' ' 14' ' ' GLN . 46.1 mt-30 -66.53 -59.34 3.72 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-O 121.211 0.529 . . . . 0.0 110.287 179.68 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.513 ' O ' ' CG2' ' A' ' 21' ' ' THR . . . -44.11 -21.74 0.05 OUTLIER 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.809 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.533 HD11 ' CE1' ' A' ' 82' ' ' TYR . 7.3 mt -85.76 -45.12 11.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.468 177.763 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 17' ' ' GLN . 96.6 mttt -39.7 -41.94 1.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.816 -179.015 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.513 ' CG2' ' O ' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -59.11 -35.45 73.47 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.673 179.827 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 19' ' ' LEU . 43.0 mmt-85 -71.1 -6.95 43.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.341 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.13 32.35 6.47 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.9 t -105.37 161.13 5.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -118.52 162.95 17.51 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.377 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.729 ' O ' HG23 ' A' ' 26' ' ' VAL . 10.3 m -124.38 106.02 16.18 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-O 121.36 0.6 . . . . 0.0 110.895 -179.583 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.489 ' HD2' ' HB3' ' A' ' 29' ' ' ALA . 41.2 pttt -110.31 168.01 9.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.563 0.697 . . . . 0.0 111.148 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -58.97 -39.89 83.11 Favored 'General case' 0 C--N 1.32 -0.714 0 O-C-N 121.692 -0.63 . . . . 0.0 109.967 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.489 ' HB3' ' HD2' ' A' ' 27' ' ' LYS . . . -64.53 -22.35 66.94 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.308 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.413 ' HB2' ' O ' ' A' ' 27' ' ' LYS . 57.8 m-20 -71.05 -41.48 70.7 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.566 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.462 ' O ' ' CB ' ' A' ' 35' ' ' PHE . 6.4 mp -64.2 -43.17 95.84 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.45 179.75 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.422 ' H ' ' HG ' ' A' ' 32' ' ' LEU . 40.8 mt -55.85 -50.35 70.82 Favored 'General case' 0 C--N 1.314 -0.964 0 C-N-CA 119.404 -0.918 . . . . 0.0 111.04 -178.539 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -74.31 -53.18 10.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.544 -178.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.453 ' O ' HG22 ' A' ' 38' ' ' VAL . 10.0 t80 -60.27 -40.39 90.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.992 0.425 . . . . 0.0 112.132 -178.207 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.462 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 5.9 t80 -70.0 -46.08 65.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.296 178.766 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -70.73 -21.29 62.56 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.795 -179.178 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -66.18 -59.68 3.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.815 -179.532 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.537 ' O ' ' N ' ' A' ' 42' ' ' CYS . 0.2 OUTLIER -68.23 -40.5 82.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.799 179.726 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -53.97 -33.94 58.34 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.761 -179.212 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -42.55 -64.07 0.67 Allowed 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.017 -179.274 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 61.1 p -116.04 3.22 13.57 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.168 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.537 ' N ' ' O ' ' A' ' 38' ' ' VAL . 15.9 m 38.78 63.35 4.21 Favored Pre-proline 0 C--O 1.223 -0.33 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.388 -178.591 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.558 ' C ' ' H ' ' A' ' 45' ' ' PHE . 22.0 Cg_exo -65.86 -20.38 58.36 Favored 'Trans proline' 0 C--N 1.307 -1.62 0 C-N-CA 122.808 2.339 . . . . 0.0 112.199 -179.327 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.853 ' HE1' H141 ' A' ' 1' ' ' MYR . 1.2 m-90 -70.3 26.55 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.309 0.576 . . . . 0.0 110.929 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.558 ' H ' ' C ' ' A' ' 43' ' ' PRO . 0.1 OUTLIER 63.1 98.44 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.053 -179.819 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -72.8 -5.84 17.92 Favored 'Trans proline' 0 C--N 1.311 -1.425 0 C-N-CA 122.317 2.011 . . . . 0.0 112.352 -178.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -83.68 -59.64 2.37 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.092 -0.643 . . . . 0.0 110.865 -179.418 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 54.3 tp10 -94.27 -36.67 11.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.123 178.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.12 65.7 1.27 Allowed Glycine 0 CA--C 1.529 0.918 0 N-CA-C 110.511 -1.036 . . . . 0.0 110.511 -177.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.449 ' O ' ' O ' ' A' ' 44' ' ' TRP . 10.2 t -138.87 169.7 17.32 Favored 'General case' 0 CA--C 1.523 -0.072 0 CA-C-O 120.963 0.411 . . . . 0.0 110.679 -179.53 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.437 ' CD1' HD23 ' A' ' 89' ' ' LEU . 1.4 mt -80.68 143.42 12.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.172 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -137.2 123.59 20.72 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.908 0.385 . . . . 0.0 110.508 179.401 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 37.5 mm -69.94 -41.61 79.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.62 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.461 ' CD ' HH11 ' A' ' 57' ' ' ARG . 70.8 mmtt -61.31 -56.14 23.8 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-O 121.441 0.639 . . . . 0.0 111.166 -179.095 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -64.01 -33.49 75.85 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.467 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 38.3 t-105 -56.93 -38.7 73.27 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 121.144 0.497 . . . . 0.0 110.519 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.461 HH11 ' CD ' ' A' ' 54' ' ' LYS . 88.6 mtm180 -66.18 -40.01 90.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.129 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.516 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 94.3 mtt180 -60.68 -51.72 68.18 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.351 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.437 HG13 ' N ' ' A' ' 60' ' ' GLY . 3.7 p -64.0 -41.9 93.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.466 179.625 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.437 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -61.86 -47.12 92.24 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 -179.643 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -71.12 -37.67 72.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.753 0.311 . . . . 0.0 110.716 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.516 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 91.3 m -66.12 -39.31 89.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.129 -179.771 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -82.73 -42.2 18.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.85 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -62.58 -44.44 96.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.687 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.779 ' O ' HG23 ' A' ' 69' ' ' THR . 13.6 t70 -63.58 -53.5 50.71 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.747 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.473 ' CD2' ' C ' ' A' ' 66' ' ' TYR . 16.7 t80 -61.35 -45.52 94.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.902 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.53 ' O ' ' N ' ' A' ' 71' ' ' GLY . 54.6 t80 -62.48 -45.63 92.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.761 -179.372 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 -64.21 -41.08 97.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.752 -179.401 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.779 HG23 ' O ' ' A' ' 65' ' ' ASP . 67.9 p -64.82 -31.76 73.14 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.363 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -111.15 12.86 21.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.563 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.53 ' N ' ' O ' ' A' ' 67' ' ' TYR . . . -128.22 -161.46 10.72 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 -179.627 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -79.31 159.21 26.21 Favored 'Trans proline' 0 C--N 1.309 -1.517 0 C-N-CA 123.192 2.595 . . . . 0.0 112.201 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -71.54 -32.73 68.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.126 0.489 . . . . 0.0 110.774 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 75' ' ' VAL . 48.8 mmtt -62.5 -44.54 96.13 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.698 -178.765 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.414 ' O ' ' O ' ' A' ' 74' ' ' LYS . 20.3 t 60.29 131.82 0.02 OUTLIER Pre-proline 0 C--N 1.318 -0.765 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.115 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -50.97 126.76 19.59 Favored 'Trans proline' 0 N--CA 1.491 1.358 0 C-N-CA 121.896 1.73 . . . . 0.0 111.889 179.166 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 45.0 t -82.95 -24.08 8.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.576 179.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.421 ' H ' HG23 ' A' ' 78' ' ' THR . 19.3 p -47.71 -27.51 1.99 Allowed 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.088 -179.508 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.18 -23.38 65.54 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.256 0.55 . . . . 0.0 111.232 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -66.46 -37.73 85.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.696 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 78.3 p -66.77 -34.24 77.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.615 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.533 ' CE1' HD11 ' A' ' 19' ' ' LEU . 19.0 m-85 -59.6 -49.85 76.16 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.678 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.416 ' O ' ' CB ' ' A' ' 87' ' ' LYS . 45.0 t90 -59.24 -47.58 84.83 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.901 -179.525 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -62.49 -41.13 98.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.308 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.408 HD21 ' CB ' ' A' ' 18' ' ' ALA . 52.5 tp -69.38 -61.96 1.58 Allowed 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 120.734 -0.387 . . . . 0.0 110.911 -179.646 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -54.87 -34.42 30.79 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 CA-C-O 121.161 0.505 . . . . 0.0 110.195 -179.422 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.416 ' CB ' ' O ' ' A' ' 83' ' ' TRP . 68.5 tttt -56.77 -47.87 79.14 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.849 -179.3 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.94 -18.03 33.79 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 121.023 0.44 . . . . 0.0 111.759 179.526 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.437 HD23 ' CD1' ' A' ' 51' ' ' ILE . 32.5 tp -58.26 -42.16 85.86 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.84 -175.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 26.2 mt -63.46 -43.43 98.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.255 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -52.97 -15.19 0.71 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -178.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 71.4 tttt -68.11 139.4 56.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.444 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -85.72 4.69 35.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.535 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -100.21 54.35 0.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.421 -178.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 21.4 t -114.24 129.47 70.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-O 120.957 0.408 . . . . 0.0 109.967 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.756 ' H ' HH22 ' A' ' 10' ' ' ARG . 0.9 OUTLIER -41.71 163.84 0.11 Allowed Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.698 -179.779 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.53 ' O ' ' N ' ' A' ' 99' ' ' VAL . 68.0 Cg_exo -42.47 -18.53 0.1 OUTLIER 'Trans proline' 0 C--N 1.313 -1.333 0 C-N-CA 122.654 2.236 . . . . 0.0 111.922 179.181 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.519 ' O ' ' N ' ' A' ' 102' ' ' ALA . 6.0 pt20 -46.23 -12.57 0.02 OUTLIER 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.546 179.417 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.53 ' N ' ' O ' ' A' ' 97' ' ' PRO . 79.3 t -59.57 -46.82 92.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.819 -179.396 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 97.0 mmm -67.03 -37.89 84.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.94 0.4 . . . . 0.0 110.875 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -83.72 -18.83 36.57 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.064 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.55 ' O ' ' N ' ' A' ' 104' ' ' ALA . . . -82.15 -48.32 11.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.863 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 99' ' ' VAL . 39.4 t -44.78 -13.63 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.683 179.394 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.55 ' N ' ' O ' ' A' ' 102' ' ' ALA . . . -57.51 -28.38 63.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.348 179.429 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 41.65 -160.13 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.635 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.7 m -61.4 -45.72 93.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.357 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -127.54 155.84 43.16 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.683 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -71.35 122.17 19.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.187 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 36.4 pt -49.49 -26.39 2.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.463 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.58 -42.78 98.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.377 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 114' ' ' SER . 64.0 tttp -63.0 -47.25 83.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.472 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 111' ' ' LYS . 21.8 t 37.88 -123.52 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.588 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -65.36 -40.54 93.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.575 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.44 ' O ' ' O ' ' A' ' 111' ' ' LYS . 26.8 p -156.68 162.22 39.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.75 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -67.24 120.94 14.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.505 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 68.1 p -109.93 -50.92 2.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.552 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -64.15 -52.89 56.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.629 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 43.7 tp -64.96 -40.67 95.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.375 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 57.41 109.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.503 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -91.66 122.58 34.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.459 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.44 ' ND1' ' CE1' ' A' ' 123' ' ' HIS . 61.4 t-80 -145.89 140.91 27.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.525 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -113.69 130.49 56.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.443 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.44 ' CE1' ' ND1' ' A' ' 121' ' ' HIS . 74.3 m80 -110.3 128.1 55.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.56 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -110.13 143.98 39.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.458 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.48 ' OXT' ' ND1' ' A' ' 125' ' ' HIS . 59.1 t-80 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.577 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MYR . . . . . 0.642 H142 ' CE2' ' A' ' 44' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.797 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.413 ' C ' ' N ' ' A' ' 5' ' ' LEU . 61.2 tt0 -57.32 -27.75 62.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.012 0.434 . . . . 0.0 110.566 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 66.1 tt0 -47.32 -19.88 0.18 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.445 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.413 ' N ' ' C ' ' A' ' 3' ' ' GLN . 58.3 tp -46.02 -33.43 3.4 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.419 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.5 p -54.98 -35.34 64.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.084 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.448 HE22 ' HD2' ' A' ' 97' ' ' PRO . 85.6 mt-30 -56.35 -39.34 72.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.265 179.481 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 27.3 t60 -57.89 -49.35 77.03 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -49.8 -33.13 15.66 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.303 -0.559 . . . . 0.0 109.878 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -75.98 -49.22 18.29 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.248 178.609 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.674 ' CE1' HD23 ' A' ' 15' ' ' LEU . 87.8 t80 -52.11 -40.72 61.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.85 0.357 . . . . 0.0 110.26 -179.254 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.4 t -61.29 -51.49 72.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 120.331 -0.548 . . . . 0.0 110.845 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -67.74 -39.94 84.2 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.073 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.523 ' O ' ' N ' ' A' ' 17' ' ' GLN . 65.5 tp60 -69.51 -71.59 0.22 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.335 -179.412 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.674 HD23 ' CE1' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -38.51 -47.83 1.33 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.452 -179.12 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.715 ' HZ1' ' HG ' ' A' ' 31' ' ' LEU . 74.4 mttt -60.71 -41.71 95.76 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.596 178.67 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.523 ' N ' ' O ' ' A' ' 14' ' ' GLN . 63.0 mt-30 -62.38 -57.75 10.16 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 120.527 -0.469 . . . . 0.0 109.865 179.059 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.471 ' O ' HG23 ' A' ' 21' ' ' THR . . . -53.18 -16.49 1.23 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 121.071 0.462 . . . . 0.0 109.854 179.108 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.582 HD22 HG21 ' A' ' 24' ' ' VAL . 3.2 mt -87.86 -50.66 6.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.55 178.273 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -41.51 -41.42 2.1 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.499 -178.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.471 HG23 ' O ' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -61.0 -33.0 72.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.581 179.714 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 19' ' ' LEU . 73.1 mmt-85 -67.36 -6.78 20.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.462 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.97 22.63 8.22 Favored Glycine 0 N--CA 1.467 0.758 0 N-CA-C 111.274 -0.731 . . . . 0.0 111.274 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.622 HG12 ' N ' ' A' ' 25' ' ' LYS . 16.8 t -105.74 170.14 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.629 0.252 . . . . 0.0 110.687 -179.735 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.622 ' N ' HG12 ' A' ' 24' ' ' VAL . 98.5 mttt -112.63 150.9 30.77 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.61 179.451 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.779 ' O ' HG23 ' A' ' 26' ' ' VAL . 15.4 m -127.95 88.12 1.18 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-O 121.196 0.522 . . . . 0.0 110.561 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.454 ' HG2' ' H ' ' A' ' 28' ' ' TYR . 17.0 ttmt -109.76 163.64 13.31 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.464 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.454 ' H ' ' HG2' ' A' ' 27' ' ' LYS . 97.2 m-85 -57.73 -36.09 71.59 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.029 0.442 . . . . 0.0 110.235 179.59 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.19 -23.17 62.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.749 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.417 ' CB ' ' HZ3' ' A' ' 16' ' ' LYS . 86.3 m-20 -71.01 -44.11 66.57 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.766 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.715 ' HG ' ' HZ1' ' A' ' 16' ' ' LYS . 4.6 mp -60.77 -41.3 95.24 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-O 120.935 0.398 . . . . 0.0 110.3 -179.31 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.1 mt -52.81 -53.87 42.29 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 119.705 -0.798 . . . . 0.0 111.123 -179.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 37' ' ' PHE . 89.0 tttt -71.84 -52.37 17.77 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -178.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.548 ' O ' HG22 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -61.71 -37.9 85.89 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -178.346 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.466 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 8.1 t80 -71.64 -48.15 49.75 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.14 179.607 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -77.19 -23.4 51.51 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.025 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.465 ' CB ' ' O ' ' A' ' 33' ' ' LYS . 14.9 t80 -62.66 -51.69 66.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.976 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.548 HG22 ' O ' ' A' ' 34' ' ' PHE . 6.8 m -74.37 -33.01 32.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.568 179.464 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.511 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 80.2 tttt -57.81 -29.96 65.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.663 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -46.01 -58.45 3.57 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.735 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 78.0 p -114.95 -4.42 12.58 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.871 0.367 . . . . 0.0 111.01 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.52 ' N ' ' O ' ' A' ' 38' ' ' VAL . 3.3 m 42.41 65.7 4.84 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.799 -178.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.585 ' C ' ' H ' ' A' ' 45' ' ' PHE . 26.4 Cg_exo -63.47 -29.12 71.11 Favored 'Trans proline' 0 N--CA 1.497 1.722 0 C-N-CA 122.771 2.314 . . . . 0.0 112.126 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.642 ' CE2' H142 ' A' ' 1' ' ' MYR . 1.7 m-90 -66.94 24.63 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.029 -179.502 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.585 ' H ' ' C ' ' A' ' 43' ' ' PRO . 55.5 m-85 41.48 82.5 0.22 Allowed Pre-proline 0 N--CA 1.455 -0.207 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -54.52 -5.94 0.5 Allowed 'Trans proline' 0 N--CA 1.492 1.394 0 C-N-CA 122.109 1.873 . . . . 0.0 112.485 -178.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.416 ' H ' ' C ' ' A' ' 45' ' ' PHE . 93.0 mm-40 -83.07 -56.76 3.6 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.479 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.506 ' O ' ' H51' ' A' ' 1' ' ' MYR . 2.3 pt-20 -91.83 -23.66 19.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.57 178.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.448 ' O ' ' H81' ' A' ' 1' ' ' MYR . . . 61.36 77.26 0.2 Allowed Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.614 -0.995 . . . . 0.0 110.614 -179.214 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.431 ' O ' ' CD1' ' A' ' 44' ' ' TRP . 9.1 t -145.61 171.04 15.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.934 0.397 . . . . 0.0 111.066 -179.302 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.463 ' HB ' HD11 ' A' ' 90' ' ' ILE . 0.8 OUTLIER -98.71 140.76 17.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.81 179.386 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -133.88 122.72 23.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.896 0.379 . . . . 0.0 110.527 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.1 mm -69.71 -41.07 79.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.103 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -64.68 -51.94 59.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.047 0.451 . . . . 0.0 110.931 -179.309 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 31.2 ttt85 -67.99 -39.15 83.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.431 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 44.7 t-105 -56.36 -35.8 68.09 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.244 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 63.6 ttm-85 -67.75 -41.61 83.09 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.224 179.39 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.514 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 78.6 mtp85 -60.22 -50.2 74.6 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.389 -179.738 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.4 HG13 ' N ' ' A' ' 60' ' ' GLY . 3.8 p -64.1 -40.52 89.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.832 0.349 . . . . 0.0 110.228 179.746 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.4 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -64.61 -53.18 36.76 Favored Glycine 0 CA--C 1.529 0.947 0 C-N-CA 121.145 -0.55 . . . . 0.0 111.845 -179.538 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.566 ' OD1' ' N ' ' A' ' 62' ' ' CYS . 14.4 p30 -68.23 -26.31 65.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.838 0.352 . . . . 0.0 110.827 -179.566 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.566 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 8.1 m -65.04 -40.9 95.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.287 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -81.62 -35.85 29.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.947 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -65.42 -43.36 90.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.551 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.476 ' O ' HG23 ' A' ' 69' ' ' THR . 34.0 t0 -63.34 -50.65 69.16 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.474 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.406 ' O ' ' OG1' ' A' ' 69' ' ' THR . 63.8 t80 -64.33 -41.06 96.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.713 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -67.29 -36.36 81.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 71' ' ' GLY . 11.7 m-20 -62.91 -39.87 95.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.257 -179.381 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 65' ' ' ASP . 68.1 p -50.05 -20.05 0.87 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.771 -179.437 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -89.58 14.4 11.64 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.523 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 40.38 58.69 2.41 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 -179.371 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.437 ' O ' HG23 ' A' ' 75' ' ' VAL . 59.0 Cg_endo -78.23 132.33 11.34 Favored 'Trans proline' 0 C--N 1.309 -1.505 0 C-N-CA 122.855 2.37 . . . . 0.0 112.491 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -87.0 -37.75 17.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.278 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.478 ' O ' ' C ' ' A' ' 75' ' ' VAL . 12.5 mptt -60.54 -45.8 92.53 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.325 -178.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.495 HG12 ' O ' ' A' ' 75' ' ' VAL . 60.6 t 29.37 82.82 0.2 Allowed Pre-proline 0 N--CA 1.466 0.337 0 O-C-N 123.543 0.527 . . . . 0.0 111.011 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -54.07 125.85 20.14 Favored 'Trans proline' 0 C--N 1.311 -1.432 0 C-N-CA 121.681 1.587 . . . . 0.0 111.604 -179.086 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.5 t -82.78 -16.98 11.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.419 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 70.2 p -46.83 -30.86 2.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.987 0.422 . . . . 0.0 110.019 -179.176 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.97 -30.23 65.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.835 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -71.28 -37.15 71.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.064 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 78.1 p -66.02 -42.29 89.84 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.54 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 13.5 m-85 -61.16 -45.83 93.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.716 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 38.5 m0 -56.4 -47.59 78.68 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.968 -178.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 62.3 m-20 -65.22 -42.05 93.81 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.864 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 55.7 tp -68.04 -63.14 1.12 Allowed 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.885 -179.536 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -50.34 -36.93 13.84 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.307 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 48.6 tttt -55.07 -46.12 75.4 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.895 -178.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.22 -19.33 43.44 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.988 -179.462 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.561 HD13 ' O ' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -60.68 -44.7 96.18 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.75 -177.784 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.463 HD11 ' HB ' ' A' ' 51' ' ' ILE . 19.4 mt -62.79 -42.88 97.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 C-N-CA 119.963 -0.695 . . . . 0.0 109.709 -179.671 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -43.55 -29.18 0.45 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.541 -178.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.449 ' O ' HG23 ' A' ' 95' ' ' VAL . 32.7 tttp -63.84 132.43 50.82 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -80.97 -4.42 54.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.717 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -94.69 43.44 1.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.687 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 92' ' ' LYS . 46.6 t -72.4 136.82 24.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 0.0 109.986 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.455 ' OD1' ' N ' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -39.83 164.27 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.116 -179.272 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.515 ' O ' ' N ' ' A' ' 99' ' ' VAL . 52.5 Cg_exo -45.75 -20.63 0.72 Allowed 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 122.813 2.342 . . . . 0.0 112.125 179.105 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 102' ' ' ALA . 2.9 pt20 -46.22 -13.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.531 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.519 ' O ' HG23 ' A' ' 103' ' ' VAL . 68.3 t -58.81 -47.44 89.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.64 -0.255 . . . . 0.0 110.67 -179.027 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 95.1 mtp -64.98 -41.31 95.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.067 0.46 . . . . 0.0 110.516 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.1 -17.5 58.65 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.785 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 98' ' ' GLN . . . -89.31 -36.63 15.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.474 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 99' ' ' VAL . 24.3 t -57.68 -42.63 82.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.271 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.17 -30.4 26.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.348 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -53.98 -31.12 49.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.42 -179.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.438 ' O ' ' O ' ' A' ' 103' ' ' VAL . 47.1 p -133.46 158.44 43.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.661 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -94.51 149.08 21.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.467 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -75.25 121.47 22.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.057 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 38.9 pt -55.01 -29.71 22.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.403 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 56.3 mt -65.03 -34.89 79.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.396 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.482 ' O ' ' O ' ' A' ' 114' ' ' SER . 84.7 tttt -62.49 -6.48 3.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.297 0.57 . . . . 0.0 110.249 -179.482 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 14.2 t -61.6 -46.4 90.0 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.416 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 113' ' ' ASN . 47.9 t-20 -66.53 -42.5 87.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.943 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.482 ' O ' ' O ' ' A' ' 111' ' ' LYS . 3.2 m -160.24 -155.18 0.42 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.459 -179.63 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -68.2 -39.15 82.52 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 21.7 p -142.76 169.1 18.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.62 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.433 ' OD2' ' N ' ' A' ' 117' ' ' ASP . 19.6 p-10 -62.86 -43.38 98.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.211 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.43 ' N ' HD12 ' A' ' 118' ' ' LEU . 10.9 mp -64.0 -42.47 97.15 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.675 179.064 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 54.49 67.38 1.02 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.237 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 16.7 t-80 -105.57 104.11 13.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.866 0.365 . . . . 0.0 110.142 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 56.8 t60 -81.28 128.97 34.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.402 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 72.2 m80 -78.66 130.39 35.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.421 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -62.7 -40.7 97.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.535 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -135.44 145.94 47.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.54 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.652 179.855 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MYR . . . . . 0.77 H122 ' CD1' ' A' ' 11' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.588 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -65.58 -25.61 67.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.897 0.379 . . . . 0.0 110.426 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -51.03 -23.79 3.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.434 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.4 tp -44.01 -25.76 0.23 Allowed 'General case' 0 C--O 1.238 0.449 0 CA-C-O 121.204 0.526 . . . . 0.0 110.337 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.2 p -56.0 -33.3 64.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.279 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -56.12 -47.35 78.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.229 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -57.25 -50.53 72.61 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.859 0.361 . . . . 0.0 110.059 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -46.23 -36.49 6.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.063 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.413 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 58.3 ttt85 -76.88 -47.33 21.51 Favored 'General case' 0 C--O 1.21 -1.023 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.433 178.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.77 ' CD1' H122 ' A' ' 1' ' ' MYR . 70.6 t80 -54.59 -47.96 72.7 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.309 0.576 . . . . 0.0 110.502 -178.522 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.1 t -61.82 -53.9 41.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 C-N-CA 120.146 -0.621 . . . . 0.0 111.662 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -69.33 -45.12 70.25 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.082 0.468 . . . . 0.0 111.878 -179.253 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.584 ' O ' ' N ' ' A' ' 17' ' ' GLN . 61.6 tp60 -67.54 -73.68 0.13 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.745 -179.419 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.553 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -37.26 -46.4 0.73 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -178.287 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.617 ' HB3' HG11 ' A' ' 26' ' ' VAL . 63.8 mttt -60.78 -40.21 91.7 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.716 178.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.584 ' N ' ' O ' ' A' ' 14' ' ' GLN . 48.0 mm-40 -66.47 -58.65 4.81 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.113 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.624 ' O ' HG22 ' A' ' 21' ' ' THR . . . -50.33 -15.99 0.29 Allowed 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.095 179.097 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.465 ' CD1' ' CZ ' ' A' ' 82' ' ' TYR . 3.1 mt -85.07 -47.7 9.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.114 178.698 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.467 ' CE ' HG22 ' A' ' 26' ' ' VAL . 97.8 mttt -46.48 -34.67 4.97 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.478 -179.538 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.624 HG22 ' O ' ' A' ' 18' ' ' ALA . 3.2 t -57.32 -33.47 67.75 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.429 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 92.6 mtt-85 -73.63 -13.75 61.05 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.532 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.02 30.49 3.92 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.596 HG12 ' N ' ' A' ' 25' ' ' LYS . 30.0 t -107.55 166.22 4.17 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 CA-C-O 120.789 0.328 . . . . 0.0 110.951 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.596 ' N ' HG12 ' A' ' 24' ' ' VAL . 98.6 mttt -135.2 143.24 46.31 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 179.077 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.617 HG11 ' HB3' ' A' ' 16' ' ' LYS . 4.1 m -123.49 124.59 69.99 Favored 'Isoleucine or valine' 0 C--O 1.231 0.113 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.804 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.57 ' HD3' ' H ' ' A' ' 29' ' ' ALA . 10.8 tmtt? -110.43 166.4 11.02 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.344 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -50.7 -42.08 56.62 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 121.19 0.519 . . . . 0.0 110.397 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.57 ' H ' ' HD3' ' A' ' 27' ' ' LYS . . . -63.18 -17.96 62.96 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.193 178.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.473 ' HB2' ' H ' ' A' ' 27' ' ' LYS . 20.7 t0 -68.93 -45.44 70.81 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.49 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.61 ' HG ' ' HZ1' ' A' ' 16' ' ' LYS . 5.8 mp -64.85 -41.39 95.74 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.198 0.523 . . . . 0.0 109.829 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 45.1 mt -58.62 -50.8 72.51 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 119.728 -0.789 . . . . 0.0 111.045 -178.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -73.76 -52.59 12.67 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.433 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.453 ' O ' HG22 ' A' ' 38' ' ' VAL . 78.1 t80 -58.99 -42.64 90.5 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -178.763 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.472 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 5.9 t80 -69.69 -43.1 73.15 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.798 179.46 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -73.43 -22.56 60.17 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.974 0.416 . . . . 0.0 110.787 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.69 -59.19 4.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.995 -179.472 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.523 ' O ' ' N ' ' A' ' 42' ' ' CYS . 2.6 m -66.02 -39.63 85.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.877 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -60.34 -25.43 65.81 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.817 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -54.89 -55.56 29.18 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.224 -179.096 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.7 p -114.18 -5.35 13.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.805 0.336 . . . . 0.0 110.81 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.566 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 1.5 m 45.18 57.21 15.22 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.365 -178.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.566 ' HD3' ' N ' ' A' ' 42' ' ' CYS . 18.4 Cg_exo -65.69 -39.9 19.21 Favored 'Trans proline' 0 C--N 1.308 -1.574 0 C-N-CA 122.408 2.072 . . . . 0.0 112.626 -178.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.683 ' CH2' ' CE3' ' A' ' 56' ' ' TRP . 0.5 OUTLIER -80.71 11.27 3.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.605 -179.587 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.66 ' HB2' ' HB1' ' A' ' 102' ' ' ALA . 3.1 m-85 42.16 51.93 6.56 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.097 -179.608 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 45' ' ' PHE . 6.7 Cg_endo -48.55 -4.7 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.665 0 C-N-CA 123.171 2.58 . . . . 0.0 111.944 179.608 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.561 ' H ' ' C ' ' A' ' 45' ' ' PHE . 87.0 mt-30 -55.16 -53.61 53.8 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.303 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.688 ' HG2' ' HB3' ' A' ' 101' ' ' ALA . 54.1 tp10 -92.56 -28.43 16.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.871 0.367 . . . . 0.0 110.404 178.704 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.682 ' CA ' ' H82' ' A' ' 1' ' ' MYR . . . 91.54 81.48 1.43 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 -178.768 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.9 t -144.73 166.71 24.44 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 121.121 -0.231 . . . . 0.0 110.471 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -110.97 139.52 34.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.182 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.646 ' H ' ' HE1' ' A' ' 44' ' ' TRP . 43.9 t0 -139.76 121.68 15.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.991 0.424 . . . . 0.0 110.442 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.414 HG22 ' NH2' ' A' ' 57' ' ' ARG . 33.2 mm -74.84 -40.18 46.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.36 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -63.58 -55.6 22.5 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.64 -178.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 85.4 mmt-85 -61.41 -34.27 75.1 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.265 -179.498 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.683 ' CE3' ' CH2' ' A' ' 44' ' ' TRP . 32.4 t-105 -57.65 -41.15 80.9 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.13 0.491 . . . . 0.0 110.578 -179.33 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.414 ' NH2' HG22 ' A' ' 53' ' ' ILE . 94.3 mtm-85 -64.99 -38.48 91.11 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.647 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.498 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 95.1 mtt180 -59.29 -49.12 79.03 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.117 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.5 p -70.32 -35.73 63.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.667 179.393 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -63.91 -44.92 95.35 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -73.08 -40.86 64.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.927 0.394 . . . . 0.0 110.65 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 93.9 m -61.32 -36.07 79.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.698 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -82.26 -41.54 20.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -64.55 -41.04 96.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.471 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.661 ' O ' HG23 ' A' ' 69' ' ' THR . 29.9 t0 -64.24 -51.97 61.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.62 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.463 ' O ' ' OG1' ' A' ' 69' ' ' THR . 64.2 t80 -64.16 -42.66 96.65 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.096 0.474 . . . . 0.0 110.618 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.479 ' CZ ' ' CB ' ' A' ' 72' ' ' PRO . 51.4 t80 -66.09 -38.34 88.0 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.703 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.483 ' O ' ' N ' ' A' ' 71' ' ' GLY . 10.9 m-20 -62.5 -41.13 98.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.177 -179.151 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.661 HG23 ' O ' ' A' ' 65' ' ' ASP . 81.3 p -48.55 -22.44 0.75 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.728 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -88.25 15.09 8.1 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.735 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 40.08 58.09 2.4 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.27 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.519 ' O ' HG23 ' A' ' 75' ' ' VAL . 66.4 Cg_endo -78.74 129.56 9.21 Favored 'Trans proline' 0 C--N 1.308 -1.576 0 C-N-CA 122.752 2.301 . . . . 0.0 112.358 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -88.31 -22.99 23.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.582 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.521 ' O ' ' C ' ' A' ' 75' ' ' VAL . 56.1 mmtt -66.32 -47.16 74.44 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.04 -179.044 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.521 ' C ' ' O ' ' A' ' 74' ' ' LYS . 58.7 t 20.62 79.75 0.16 Allowed Pre-proline 0 N--CA 1.464 0.256 0 O-C-N 124.185 0.928 . . . . 0.0 110.831 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -56.84 125.87 20.4 Favored 'Trans proline' 0 C--N 1.309 -1.536 0 C-N-CA 122.329 2.019 . . . . 0.0 111.768 -178.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.416 HG12 ' O ' ' A' ' 77' ' ' VAL . 86.3 t -83.25 -17.05 11.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.964 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 81.1 p -47.71 -20.81 0.31 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.539 -179.138 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' A' ' 77' ' ' VAL . . . -57.55 -23.6 51.41 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.175 0.512 . . . . 0.0 110.684 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.584 ' CE1' ' ND2' ' A' ' 84' ' ' ASN . 74.1 t80 -69.86 -28.95 66.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.739 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 55.0 m -71.19 -37.81 72.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.505 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.465 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 8.5 m-85 -60.77 -49.29 78.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.557 ' CD1' ' N ' ' A' ' 83' ' ' TRP . 6.1 m0 -60.28 -44.72 95.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 -179.65 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.584 ' ND2' ' CE1' ' A' ' 80' ' ' PHE . 67.0 m-20 -64.14 -43.76 94.25 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-O 120.914 0.388 . . . . 0.0 111.616 -179.593 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 55.7 tp -67.32 -62.36 1.46 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 120.818 0.342 . . . . 0.0 110.968 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.5 mt -54.04 -36.78 32.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.306 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.435 ' CB ' ' O ' ' A' ' 83' ' ' TRP . 50.5 tttt -52.62 -46.2 66.92 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -178.618 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.77 -19.77 44.11 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.568 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.594 HD13 ' O ' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -62.82 -47.47 83.27 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.55 -178.294 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.54 ' O ' ' N ' ' A' ' 92' ' ' LYS . 3.4 mt -63.66 -42.25 95.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.292 -179.336 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -42.39 -18.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.612 -178.143 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.54 ' N ' ' O ' ' A' ' 90' ' ' ILE . 97.1 mttt -73.03 143.87 47.35 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.742 178.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.414 ' C ' ' H ' ' A' ' 95' ' ' VAL . 99.4 mttt -86.33 -5.15 59.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.572 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -71.35 44.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 95' ' ' VAL . 19.5 m -121.71 131.68 72.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.332 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.581 ' O ' ' N ' ' A' ' 98' ' ' GLN . 0.0 OUTLIER -105.05 165.93 12.33 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.671 -179.729 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.568 ' O ' ' N ' ' A' ' 99' ' ' VAL . 71.2 Cg_exo -38.85 -17.73 0.04 OUTLIER 'Trans proline' 0 C--N 1.313 -1.321 0 C-N-CA 122.964 2.442 . . . . 0.0 112.133 179.024 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.581 ' N ' ' O ' ' A' ' 96' ' ' ASN . 7.5 pt20 -40.48 -20.53 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.593 0.711 . . . . 0.0 109.827 -178.791 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.568 ' N ' ' O ' ' A' ' 97' ' ' PRO . 86.3 t -63.07 -45.26 99.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.309 178.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.417 ' N ' ' O ' ' A' ' 97' ' ' PRO . 78.1 mtm -69.56 -39.49 77.36 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.197 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.688 ' HB3' ' HG2' ' A' ' 48' ' ' GLU . . . -60.35 -21.05 61.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.501 -179.648 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.66 ' HB1' ' HB2' ' A' ' 45' ' ' PHE . . . -83.53 -38.51 21.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.528 179.507 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.511 ' C ' ' H ' ' A' ' 105' ' ' GLN . 32.4 t -42.04 -20.48 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.525 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.515 ' O ' ' N ' ' A' ' 107' ' ' GLU . . . -51.74 -7.39 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.668 179.664 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.522 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 57.7 tt0 38.59 -93.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.47 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.51 ' N ' ' O ' ' A' ' 104' ' ' ALA . 20.8 p -116.69 -14.08 10.81 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.461 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' A' ' 104' ' ' ALA . 96.9 mt-10 -140.52 155.82 46.51 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.768 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 111' ' ' LYS . 91.5 mt-10 -77.56 124.24 27.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.201 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 40.1 pt -42.94 -27.6 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.503 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.495 HD12 ' OD1' ' A' ' 117' ' ' ASP . 96.4 mt -65.7 -41.41 92.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.448 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 108' ' ' GLU . 57.2 tttt -113.5 50.35 0.91 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.298 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 96.9 p -60.32 -21.38 61.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.689 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 -60.57 -42.74 97.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.462 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.7 t 176.64 147.78 0.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.678 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 57.59 -157.73 0.29 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.329 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.549 ' O ' ' N ' ' A' ' 118' ' ' LEU . 51.5 p -126.8 170.64 11.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.129 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.495 ' OD1' HD12 ' A' ' 110' ' ' LEU . 96.4 m-20 -39.11 -23.32 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.679 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.549 ' N ' ' O ' ' A' ' 116' ' ' THR . 77.8 mt -106.83 127.76 53.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.2 179.527 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.418 ' OE2' ' N ' ' A' ' 119' ' ' GLU . 58.0 mp0 -70.28 -30.5 67.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.536 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -115.88 153.47 31.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.618 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -111.66 150.81 29.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.538 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -65.51 -42.45 92.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.693 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -58.34 -40.93 83.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.442 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -59.64 -44.15 93.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.671 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 84.0 t60 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.53 179.976 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 31.7 tp . . . . . 0 C--O 1.243 0.744 0 CA-C-O 121.559 0.695 . . . . 0.0 110.423 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.4 p -54.21 -27.52 34.92 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.932 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -57.87 -46.33 84.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.094 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -57.03 -49.31 76.22 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.115 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -49.24 -39.76 31.4 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.271 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 -75.23 -46.03 36.47 Favored 'General case' 0 C--O 1.216 -0.691 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.395 179.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.454 ' CE2' HD23 ' A' ' 15' ' ' LEU . 69.2 t80 -54.78 -45.3 74.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.042 0.449 . . . . 0.0 110.381 -179.054 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 30.8 t -61.0 -51.36 74.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 C-N-CA 120.186 -0.606 . . . . 0.0 111.058 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -68.56 -40.69 80.51 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.152 0.501 . . . . 0.0 111.281 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.527 ' O ' ' N ' ' A' ' 17' ' ' GLN . 65.5 tp60 -70.3 -72.41 0.2 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.413 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.516 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -37.89 -49.02 1.2 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 -178.581 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.597 ' HZ2' ' CD1' ' A' ' 31' ' ' LEU . 59.0 mttt -60.01 -41.01 91.21 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.052 -0.659 . . . . 0.0 111.106 179.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.527 ' N ' ' O ' ' A' ' 14' ' ' GLN . 46.5 mt-30 -65.97 -58.69 4.96 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-O 121.401 0.62 . . . . 0.0 109.962 179.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.667 ' O ' HG22 ' A' ' 21' ' ' THR . . . -52.54 -15.61 0.72 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.087 179.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.645 HD22 HG21 ' A' ' 24' ' ' VAL . 3.4 mt -83.97 -50.25 8.2 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.617 178.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -45.43 -31.73 1.84 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.035 -179.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.667 HG22 ' O ' ' A' ' 18' ' ' ALA . 2.1 t -60.41 -35.2 75.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.45 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 19' ' ' LEU . 61.0 mtp85 -72.82 -10.47 59.83 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.404 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 105.33 30.05 4.86 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.645 HG21 HD22 ' A' ' 19' ' ' LEU . 13.9 t -105.85 167.68 3.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 116.653 0.227 . . . . 0.0 110.46 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.547 ' N ' HG12 ' A' ' 24' ' ' VAL . 99.4 mttt -117.1 152.4 34.78 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.312 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.724 ' O ' HG23 ' A' ' 26' ' ' VAL . 12.8 m -126.64 102.22 9.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 CA-C-O 121.086 0.469 . . . . 0.0 110.741 -179.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.462 ' HG2' ' H ' ' A' ' 28' ' ' TYR . 16.6 ttmt -111.13 162.67 14.68 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.299 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.462 ' H ' ' HG2' ' A' ' 27' ' ' LYS . 90.5 m-85 -57.66 -43.13 84.75 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.253 0.549 . . . . 0.0 110.223 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.79 -20.97 25.27 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.26 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.424 ' HB3' ' HZ3' ' A' ' 16' ' ' LYS . 37.6 t0 -71.51 -41.43 69.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.917 179.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.597 ' CD1' ' HZ2' ' A' ' 16' ' ' LYS . 4.4 mp -64.45 -41.16 96.71 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.162 0.506 . . . . 0.0 110.272 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 34.2 mt -59.04 -47.46 85.15 Favored 'General case' 0 C--N 1.31 -1.13 0 C-N-CA 119.64 -0.824 . . . . 0.0 110.971 -178.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -78.16 -52.68 8.35 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.365 -178.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.525 ' O ' HG22 ' A' ' 38' ' ' VAL . 84.0 t80 -58.28 -40.63 82.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.964 0.411 . . . . 0.0 111.748 -178.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.431 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 4.4 t80 -72.16 -44.62 62.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.558 179.107 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -70.32 -25.14 63.17 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.914 0.388 . . . . 0.0 111.219 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -65.55 -59.9 3.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.788 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.525 HG22 ' O ' ' A' ' 34' ' ' PHE . 2.6 m -66.98 -40.35 85.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -55.0 -29.83 58.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.703 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -47.0 -62.48 1.39 Allowed 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.654 -0.419 . . . . 0.0 110.893 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.444 ' C ' ' SG ' ' A' ' 42' ' ' CYS . 16.5 p -115.07 5.09 14.83 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.117 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.519 ' N ' ' O ' ' A' ' 38' ' ' VAL . 0.8 OUTLIER 33.93 65.46 1.44 Allowed Pre-proline 0 N--CA 1.464 0.259 0 O-C-N 123.498 0.499 . . . . 0.0 110.314 -178.752 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.574 ' C ' ' H ' ' A' ' 45' ' ' PHE . 23.7 Cg_exo -63.9 -19.56 66.91 Favored 'Trans proline' 0 N--CA 1.494 1.543 0 C-N-CA 122.89 2.393 . . . . 0.0 112.077 -178.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.571 ' O ' ' N ' ' A' ' 50' ' ' THR . 1.2 m-90 -67.96 23.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.011 0.434 . . . . 0.0 110.914 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.574 ' H ' ' C ' ' A' ' 43' ' ' PRO . 0.1 OUTLIER 77.64 92.26 0.05 OUTLIER Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 -179.636 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -54.68 -18.52 15.95 Favored 'Trans proline' 0 C--N 1.304 -1.792 0 C-N-CA 122.355 2.037 . . . . 0.0 112.05 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -83.8 -59.89 2.28 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 119.991 -0.684 . . . . 0.0 111.567 -179.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.1 tp10 -94.16 -27.19 16.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.428 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 45' ' ' PHE . . . 74.02 33.1 57.81 Favored Glycine 0 CA--C 1.538 1.505 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 -178.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.571 ' N ' ' O ' ' A' ' 44' ' ' TRP . 10.9 t -94.09 172.77 8.02 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.013 0.435 . . . . 0.0 110.762 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.49 HG23 ' NE1' ' A' ' 44' ' ' TRP . 1.3 mt -83.8 138.71 18.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.298 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -136.81 122.13 19.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.887 0.375 . . . . 0.0 110.608 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 39.6 mm -71.36 -42.49 73.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.437 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -64.14 -51.44 63.91 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.481 0.658 . . . . 0.0 110.719 -179.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -64.99 -35.37 80.99 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.112 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 37.8 t-105 -55.01 -39.32 68.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.182 0.515 . . . . 0.0 110.288 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -66.03 -37.57 86.22 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.106 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.513 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 79.8 ttt-85 -59.3 -50.17 75.0 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.793 -179.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.2 p -67.83 -34.29 66.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.459 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -63.39 -50.8 59.64 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.296 -0.722 . . . . 0.0 111.296 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.561 ' OD1' ' N ' ' A' ' 62' ' ' CYS . 3.5 p30 -70.29 -35.11 73.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.75 0.309 . . . . 0.0 110.815 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.561 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 94.4 m -65.76 -38.61 89.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.846 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -79.65 -42.03 25.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.513 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.817 HE21 HD21 ' A' ' 68' ' ' ASN . 51.8 tp60 -65.51 -36.89 85.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.628 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.537 ' O ' HG23 ' A' ' 69' ' ' THR . 58.8 t0 -65.53 -55.21 19.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.676 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.478 ' O ' ' OG1' ' A' ' 69' ' ' THR . 7.8 m-85 -64.33 -40.12 95.26 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.093 0.473 . . . . 0.0 110.619 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.419 ' CD1' ' HG3' ' A' ' 72' ' ' PRO . 57.8 t80 -64.11 -41.01 97.41 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.648 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.817 HD21 HE21 ' A' ' 64' ' ' GLN . 3.5 m120 -61.71 -40.75 96.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.207 -179.087 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.537 HG23 ' O ' ' A' ' 65' ' ' ASP . 71.7 p -50.96 -24.83 3.96 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.951 -0.299 . . . . 0.0 110.564 -179.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -85.39 13.6 6.46 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.627 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.408 ' N ' ' HD3' ' A' ' 72' ' ' PRO . . . 40.48 59.68 2.22 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.441 ' O ' HG23 ' A' ' 75' ' ' VAL . 55.3 Cg_endo -77.96 128.53 9.23 Favored 'Trans proline' 0 C--N 1.308 -1.585 0 C-N-CA 122.81 2.34 . . . . 0.0 111.933 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -87.92 -31.63 19.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.077 0.465 . . . . 0.0 110.9 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.485 ' O ' ' C ' ' A' ' 75' ' ' VAL . 53.0 mmtt -63.27 -46.65 85.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.365 -178.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.485 ' C ' ' O ' ' A' ' 74' ' ' LYS . 96.2 t 25.95 78.52 0.24 Allowed Pre-proline 0 N--CA 1.468 0.431 0 O-C-N 123.663 0.602 . . . . 0.0 111.081 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -55.7 125.82 20.39 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.003 1.802 . . . . 0.0 111.531 -178.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 98.6 t -82.13 -22.1 9.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.944 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 43.9 p -46.93 -26.97 1.11 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.356 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.67 -24.86 58.86 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.277 0.561 . . . . 0.0 110.949 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -64.91 -39.26 93.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.422 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.463 ' CB ' ' HE ' ' A' ' 22' ' ' ARG . 67.2 m -63.13 -38.97 93.29 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.886 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.513 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 5.8 m-85 -57.73 -50.59 72.73 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.691 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.432 ' CE3' ' OD1' ' A' ' 84' ' ' ASN . 36.5 t90 -59.43 -43.07 93.15 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.78 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.432 ' OD1' ' CE3' ' A' ' 83' ' ' TRP . 98.1 m-20 -64.65 -44.01 91.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.294 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 55.2 tp -68.36 -54.13 19.36 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-O 120.816 0.341 . . . . 0.0 110.552 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.1 mt -57.83 -39.6 71.88 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.308 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -51.23 -50.41 59.19 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.674 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.451 ' O ' ' OD1' ' A' ' 91' ' ' ASP . 0.4 OUTLIER -84.23 -17.11 40.87 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 179.879 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 21.7 tp -60.44 -41.03 93.19 Favored 'General case' 0 CA--C 1.51 -0.594 0 CA-C-O 121.072 0.463 . . . . 0.0 110.541 -176.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 92' ' ' LYS . 36.5 mt -61.45 -41.04 88.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.959 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.587 ' OD1' ' N ' ' A' ' 92' ' ' LYS . 0.5 OUTLIER -41.52 -25.01 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.591 -178.279 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.587 ' N ' ' OD1' ' A' ' 91' ' ' ASP . 97.5 mttt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.644 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 30.2 tp . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.798 0.333 . . . . 0.0 110.594 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.0 p -53.39 -34.0 55.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.596 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -54.67 -45.04 73.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.629 179.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.1 m80 -59.41 -49.78 76.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.545 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -43.94 -30.52 0.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.558 178.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -81.97 -41.71 20.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.632 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -54.46 -49.03 71.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.563 178.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.9 t -61.25 -53.6 46.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.556 -179.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -64.57 -40.47 95.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.563 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.6 ' O ' ' N ' ' A' ' 17' ' ' GLN . 71.6 tp60 -69.97 -74.12 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.605 -179.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.621 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -34.32 -46.86 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.562 179.837 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.541 ' HZ3' ' HG ' ' A' ' 31' ' ' LEU . 11.1 mtpt -62.75 -41.2 99.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.543 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.6 ' N ' ' O ' ' A' ' 14' ' ' GLN . 70.0 mt-30 -67.82 -58.19 5.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.548 178.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.702 ' O ' HG22 ' A' ' 21' ' ' THR . . . -50.4 -16.11 0.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.579 178.032 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.504 HD11 ' CZ ' ' A' ' 82' ' ' TYR . 5.2 mt -85.76 -48.96 8.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.59 179.147 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 66.8 tttm -43.79 -33.56 1.33 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.63 179.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.702 HG22 ' O ' ' A' ' 18' ' ' ALA . 4.3 t -61.43 -32.55 72.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.588 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 19' ' ' LEU . 94.5 mtt-85 -75.52 -9.31 58.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.5 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 105.86 29.71 4.84 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.513 HG12 ' H ' ' A' ' 25' ' ' LYS . 3.0 t -105.97 168.64 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.805 0.336 . . . . 0.0 110.542 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.513 ' H ' HG12 ' A' ' 24' ' ' VAL . 99.1 mttt -114.24 142.53 46.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.56 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.791 ' O ' HG23 ' A' ' 26' ' ' VAL . 21.6 m -115.97 90.72 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.572 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.469 ' HG2' ' H ' ' A' ' 28' ' ' TYR . 19.5 ttmt -109.37 164.85 12.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.546 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.469 ' H ' ' HG2' ' A' ' 27' ' ' LYS . 96.4 m-85 -64.19 -35.71 81.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.599 179.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.12 -21.81 65.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.553 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -74.88 -38.24 61.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.535 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.541 ' HG ' ' HZ3' ' A' ' 16' ' ' LYS . 1.7 mp -61.87 -42.11 98.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.534 179.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 43.2 mt -53.93 -55.39 27.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.611 -178.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 37' ' ' PHE . 88.3 tttt -74.62 -50.3 18.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.488 -178.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -58.75 -42.03 87.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.566 -177.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.517 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 8.2 t80 -72.17 -46.52 56.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.551 -177.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -77.28 -20.46 55.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.529 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.508 ' N ' ' O ' ' A' ' 33' ' ' LYS . 1.6 t80 -61.0 -52.06 66.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.583 -179.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.577 ' O ' ' N ' ' A' ' 42' ' ' CYS . 2.4 m -76.48 -35.01 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.525 -179.579 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -63.96 -31.55 72.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.598 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -52.12 -46.04 65.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.601 -179.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.51 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 15.7 p -113.7 -6.12 13.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.579 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.577 ' N ' ' O ' ' A' ' 38' ' ' VAL . 8.5 p 36.85 58.86 3.72 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.52 -179.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.469 ' HD3' ' N ' ' A' ' 42' ' ' CYS . 58.9 Cg_endo -80.15 -38.93 0.29 Allowed 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.764 2.31 . . . . 0.0 112.106 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.773 ' HE1' ' H ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -76.47 5.72 6.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.531 -179.447 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.501 ' O ' ' N ' ' A' ' 47' ' ' GLN . 28.9 m-85 55.4 53.04 8.49 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.55 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.46 ' CD ' ' N ' ' A' ' 45' ' ' PHE . 5.0 Cg_endo -47.45 -9.36 0.06 OUTLIER 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.806 2.337 . . . . 0.0 112.135 -178.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.501 ' N ' ' O ' ' A' ' 45' ' ' PHE . 94.6 mm-40 -62.99 -57.23 11.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.561 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -94.64 -13.54 25.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.547 178.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.99 91.28 0.05 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.1 t -139.55 168.66 19.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.838 0.351 . . . . 0.0 110.573 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -120.89 139.42 48.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.58 179.345 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.773 ' H ' ' HE1' ' A' ' 44' ' ' TRP . 51.6 t0 -144.4 121.52 11.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.594 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.4 mm -71.81 -42.22 69.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.537 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.67 -52.76 59.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.619 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 27.2 ttm-85 -63.15 -37.85 88.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.631 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.623 ' CE3' ' CH2' ' A' ' 44' ' ' TRP . 23.4 t-105 -55.39 -37.67 67.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.595 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 75.7 ttt-85 -65.56 -41.49 92.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.6 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.498 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 99.7 mtt180 -57.78 -53.03 62.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.567 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.4 ' H ' HG12 ' A' ' 59' ' ' VAL . 3.0 p -64.48 -39.16 84.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.559 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.02 -48.67 81.79 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -69.18 -35.18 76.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.807 0.336 . . . . 0.0 110.576 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 89.6 m -64.53 -37.32 87.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.562 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -82.0 -41.99 19.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.622 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -64.93 -40.11 94.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.585 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.662 ' O ' HG23 ' A' ' 69' ' ' THR . 61.2 t0 -61.75 -53.52 54.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.554 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.458 ' O ' ' OG1' ' A' ' 69' ' ' THR . 4.7 m-85 -67.25 -38.57 85.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.575 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.427 ' CD1' ' HG3' ' A' ' 72' ' ' PRO . 59.2 t80 -67.4 -39.81 85.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.553 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.419 ' O ' ' N ' ' A' ' 71' ' ' GLY . 3.4 m120 -62.47 -40.31 96.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.604 -178.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.662 HG23 ' O ' ' A' ' 65' ' ' ASP . 77.4 p -50.88 -21.54 1.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.616 -178.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -89.57 14.69 10.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.548 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.433 ' N ' ' HD3' ' A' ' 72' ' ' PRO . . . 40.89 58.99 2.55 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.433 ' HD3' ' N ' ' A' ' 71' ' ' GLY . 56.8 Cg_endo -78.15 127.69 8.57 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.786 2.324 . . . . 0.0 112.107 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -88.61 -18.98 26.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.591 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.532 ' O ' ' C ' ' A' ' 75' ' ' VAL . 51.1 mmtt -73.23 -48.25 36.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.521 -179.074 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.532 ' C ' ' O ' ' A' ' 74' ' ' LYS . 89.6 t 28.71 79.23 0.25 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.481 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -55.24 123.94 15.05 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.797 2.331 . . . . 0.0 112.141 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 77.5 t -81.06 -17.14 12.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.595 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 69.3 p -45.72 -31.32 1.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.536 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.67 -30.33 63.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.549 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -68.94 -35.48 76.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.538 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.7 m -63.73 -40.55 97.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.554 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.504 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 19.8 m-85 -58.83 -48.91 79.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.536 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.501 ' C ' ' CD1' ' A' ' 83' ' ' TRP . 9.0 t-105 -55.61 -49.95 71.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.566 -178.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -64.43 -43.04 95.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.554 -178.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 64.6 tp -66.86 -67.51 0.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.585 -178.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -49.77 -35.1 9.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.513 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 45.8 tttt -53.54 -44.46 69.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.58 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.488 ' O ' ' OD2' ' A' ' 91' ' ' ASP . 0.6 OUTLIER -83.5 -18.98 36.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.583 -177.669 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.635 HD13 ' O ' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -64.58 -41.98 95.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.538 -178.592 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 6.3 mt -62.64 -45.11 99.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.548 -178.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.548 ' OD2' ' C ' ' A' ' 91' ' ' ASP . 17.9 p30 -78.27 -5.84 53.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.58 -178.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 83.7 tttt . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.578 179.888 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.7 tp . . . . . 0 C--O 1.243 0.719 0 CA-C-O 121.27 0.557 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.3 p -55.02 -33.36 62.56 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.899 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -56.28 -41.99 76.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.096 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -57.71 -49.93 74.89 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -49.9 -32.88 15.67 Favored 'General case' 0 C--O 1.243 0.752 0 CA-C-O 121.608 0.718 . . . . 0.0 109.965 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -80.29 -49.19 11.91 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.799 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.696 ' CE2' HD23 ' A' ' 15' ' ' LEU . 79.6 t80 -51.28 -41.76 60.65 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -179.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.7 t -59.9 -57.62 10.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.918 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.08 -41.41 97.32 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.784 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.599 ' O ' ' N ' ' A' ' 17' ' ' GLN . 68.1 tp60 -67.31 -74.9 0.1 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.637 -179.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.696 HD23 ' CE2' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -36.16 -44.94 0.42 Allowed 'General case' 0 C--O 1.233 0.223 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 -178.658 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -61.12 -42.93 99.43 Favored 'General case' 0 C--N 1.315 -0.892 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.889 178.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.599 ' N ' ' O ' ' A' ' 14' ' ' GLN . 67.6 mm-40 -65.0 -59.15 4.47 Favored 'General case' 0 C--O 1.239 0.548 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.689 ' O ' HG22 ' A' ' 21' ' ' THR . . . -49.58 -16.8 0.25 Allowed 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.833 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.658 HD22 HG21 ' A' ' 24' ' ' VAL . 3.4 mt -86.64 -48.39 8.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.675 178.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 66.7 tttm -42.76 -33.69 0.79 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.48 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.689 HG22 ' O ' ' A' ' 18' ' ' ALA . 6.5 t -63.48 -33.23 75.11 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.74 179.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 19' ' ' LEU . 16.9 mmm-85 -71.67 -11.39 60.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.434 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.56 25.52 5.97 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.658 HG21 HD22 ' A' ' 19' ' ' LEU . 16.7 t -104.43 169.49 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.612 0.244 . . . . 0.0 110.686 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.605 ' N ' HG12 ' A' ' 24' ' ' VAL . 82.0 tttt -111.81 154.17 25.5 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.379 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.773 ' O ' HG23 ' A' ' 26' ' ' VAL . 19.4 m -132.89 86.69 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 121.233 0.54 . . . . 0.0 110.727 -179.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.52 ' HD2' ' HB3' ' A' ' 29' ' ' ALA . 46.4 pttt -108.76 166.83 10.51 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.23 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.423 ' CE2' HD21 ' A' ' 32' ' ' LEU . 93.8 t80 -61.52 -40.25 93.95 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.011 0.434 . . . . 0.0 110.266 179.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.52 ' HB3' ' HD2' ' A' ' 27' ' ' LYS . . . -57.93 -23.34 53.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.69 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.467 ' HB2' ' O ' ' A' ' 27' ' ' LYS . 55.9 m-20 -72.86 -44.93 60.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.003 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.45 ' O ' ' CB ' ' A' ' 35' ' ' PHE . 3.3 mp -57.82 -42.63 84.71 Favored 'General case' 0 C--O 1.214 -0.782 0 C-N-CA 120.658 -0.417 . . . . 0.0 109.957 -179.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.423 HD21 ' CE2' ' A' ' 28' ' ' TYR . 43.9 mt -49.7 -58.21 5.76 Favored 'General case' 0 C--N 1.31 -1.145 0 C-N-CA 119.925 -0.71 . . . . 0.0 111.389 -179.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 37' ' ' PHE . 87.5 tttt -69.23 -54.36 15.14 Favored 'General case' 0 C--O 1.219 -0.526 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.866 -179.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.55 ' O ' HG22 ' A' ' 38' ' ' VAL . 0.7 OUTLIER -57.82 -40.98 81.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.052 0.453 . . . . 0.0 112.051 -178.393 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.45 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 9.3 t80 -70.64 -48.36 55.39 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.638 -179.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -75.49 -19.46 59.38 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.25 0.547 . . . . 0.0 110.679 -179.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 33' ' ' LYS . 11.7 t80 -65.89 -56.12 13.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.26 -178.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 34' ' ' PHE . 2.7 m -73.23 -32.32 37.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.895 179.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.483 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 86.3 tttt -60.15 -31.29 69.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.445 -179.266 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -43.06 -60.18 1.74 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.715 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 59.4 p -114.8 1.59 14.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.49 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 12.7 m 38.07 62.32 4.12 Favored Pre-proline 0 C--N 1.333 -0.148 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.648 -178.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.617 ' C ' ' H ' ' A' ' 45' ' ' PHE . 38.2 Cg_exo -60.79 -22.16 72.63 Favored 'Trans proline' 0 C--N 1.309 -1.522 0 C-N-CA 122.801 2.334 . . . . 0.0 112.087 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.499 ' CE2' HG23 ' A' ' 51' ' ' ILE . 1.2 m-90 -65.73 25.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.117 0.484 . . . . 0.0 110.853 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.617 ' H ' ' C ' ' A' ' 43' ' ' PRO . 0.3 OUTLIER 62.48 97.02 0.04 OUTLIER Pre-proline 0 N--CA 1.445 -0.699 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 179.873 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -68.75 -7.13 19.7 Favored 'Trans proline' 0 N--CA 1.495 1.575 0 C-N-CA 122.596 2.197 . . . . 0.0 112.545 -177.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -84.62 -60.33 2.1 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.938 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -94.73 -21.21 18.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.241 179.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.61 64.66 3.19 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 -178.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.3 t -132.05 171.89 13.05 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.943 0.401 . . . . 0.0 110.939 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.499 HG23 ' CE2' ' A' ' 44' ' ' TRP . 1.1 mt -84.37 138.59 18.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.159 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.424 ' OD2' ' C ' ' A' ' 52' ' ' ASP . 56.0 t0 -138.07 123.16 19.15 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.317 0.579 . . . . 0.0 110.565 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.5 mm -72.68 -40.06 61.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.202 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -62.71 -55.3 28.05 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.094 -178.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -64.56 -33.72 76.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.54 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 34.4 t-105 -57.42 -40.07 77.57 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.312 0.577 . . . . 0.0 110.573 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -66.49 -37.45 85.11 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.281 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.502 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 58.8 ttt85 -61.0 -50.06 74.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.018 -179.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.405 HG13 ' N ' ' A' ' 60' ' ' GLY . 3.1 p -65.48 -41.41 90.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.719 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.405 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -63.08 -48.88 76.42 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -68.01 -37.48 81.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.889 0.376 . . . . 0.0 110.624 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 65.8 m -63.38 -38.25 90.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -81.84 -41.34 21.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.924 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 61.9 tp60 -66.15 -38.29 87.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.584 -179.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.467 ' O ' HG23 ' A' ' 69' ' ' THR . 24.7 t0 -66.31 -50.97 61.82 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.604 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.438 ' O ' ' OG1' ' A' ' 69' ' ' THR . 58.0 t80 -66.33 -38.5 87.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.6 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.416 ' CE1' ' CG ' ' A' ' 72' ' ' PRO . 56.3 t80 -67.48 -37.58 83.09 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.606 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.492 ' O ' ' N ' ' A' ' 71' ' ' GLY . 90.5 m-20 -61.74 -40.75 96.18 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.082 -178.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.467 HG23 ' O ' ' A' ' 65' ' ' ASP . 80.9 p -47.61 -21.26 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.33 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -90.27 15.79 9.82 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.713 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 38.91 59.07 1.77 Allowed Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.766 -0.933 . . . . 0.0 110.766 -178.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.496 ' O ' HG23 ' A' ' 75' ' ' VAL . 59.7 Cg_endo -79.54 128.72 8.01 Favored 'Trans proline' 0 C--N 1.308 -1.602 0 C-N-CA 122.739 2.293 . . . . 0.0 112.443 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -87.87 -24.54 23.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.709 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.499 ' O ' ' C ' ' A' ' 75' ' ' VAL . 53.9 mmtt -66.24 -47.55 73.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.696 -178.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.499 ' C ' ' O ' ' A' ' 74' ' ' LYS . 74.0 t 27.48 80.29 0.22 Allowed Pre-proline 0 N--CA 1.463 0.205 0 O-C-N 123.944 0.777 . . . . 0.0 110.662 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.47 125.14 17.95 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.332 2.021 . . . . 0.0 111.516 -179.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.0 t -80.82 -20.76 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.8 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 65.5 p -45.62 -29.85 1.34 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.098 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.36 -33.01 70.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.076 0.465 . . . . 0.0 110.697 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -72.82 -35.1 67.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.244 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 69.1 p -68.95 -39.74 79.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.717 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.582 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 2.9 m-85 -61.38 -46.28 90.85 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.626 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 29.4 t90 -58.36 -44.21 88.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.126 -179.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -63.19 -44.93 93.98 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.273 -179.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.4 HD23 HD11 ' A' ' 15' ' ' LEU . 60.0 tp -68.17 -48.46 65.24 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-O 121.173 0.511 . . . . 0.0 110.841 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -62.41 -38.28 80.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.182 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 35.6 tttt -53.61 -45.63 70.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.788 -178.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.29 -19.09 47.48 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.236 -179.338 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.609 HD13 ' O ' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -61.75 -42.85 99.5 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.402 -177.769 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.7 mt -61.53 -42.95 95.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.227 -179.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -64.97 -10.06 26.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.429 -178.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 72.0 tttt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.611 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.6 tp . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.729 0.3 . . . . 0.0 110.583 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.6 p -51.74 -33.64 35.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.555 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -53.82 -46.49 71.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.581 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -54.51 -49.29 70.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.537 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -47.73 -34.65 8.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.555 178.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 41.6 mtm180 -81.54 -45.41 15.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.564 179.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.764 ' CE1' HD23 ' A' ' 15' ' ' LEU . 85.6 t80 -52.51 -43.85 65.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.647 179.032 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.46 HG13 ' NZ ' ' A' ' 16' ' ' LYS . 11.5 t -60.07 -54.79 29.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.563 -179.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -65.38 -36.33 83.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.583 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.585 ' O ' ' N ' ' A' ' 17' ' ' GLN . 66.9 tp60 -72.78 -73.29 0.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.58 -179.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.764 HD23 ' CE1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -34.5 -46.69 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.594 179.796 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.46 ' NZ ' HG13 ' A' ' 12' ' ' VAL . 54.5 mttp -62.92 -41.63 99.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.527 179.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.585 ' N ' ' O ' ' A' ' 14' ' ' GLN . 66.4 mt-30 -65.98 -57.4 7.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.549 177.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.747 ' O ' HG22 ' A' ' 21' ' ' THR . . . -52.77 -15.74 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.558 178.015 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.529 HD22 HG21 ' A' ' 24' ' ' VAL . 5.4 mt -86.92 -48.85 7.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.547 179.185 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -44.49 -34.47 2.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.571 179.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.747 HG22 ' O ' ' A' ' 18' ' ' ALA . 6.5 t -63.91 -29.38 70.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.518 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 19' ' ' LEU . 26.5 mmt-85 -77.22 -8.37 57.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.578 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 106.76 23.62 7.06 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.577 HG12 ' H ' ' A' ' 25' ' ' LYS . 5.7 t -102.01 169.91 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.731 0.301 . . . . 0.0 110.621 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.577 ' H ' HG12 ' A' ' 24' ' ' VAL . 61.4 mttp -114.38 144.18 43.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.544 178.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.798 ' O ' HG23 ' A' ' 26' ' ' VAL . 18.1 m -117.73 88.43 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.572 -179.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.514 ' HG2' ' H ' ' A' ' 28' ' ' TYR . 15.6 ttmt -109.35 165.36 11.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.572 179.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.514 ' H ' ' HG2' ' A' ' 27' ' ' LYS . 93.5 m-85 -56.93 -41.4 78.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.574 179.268 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.84 -20.71 6.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.579 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.428 ' HB2' ' O ' ' A' ' 27' ' ' LYS . 76.5 m-20 -72.75 -41.13 65.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.586 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.531 ' O ' ' CB ' ' A' ' 35' ' ' PHE . 4.0 mp -63.99 -41.55 97.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.553 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.2 mt -55.92 -53.78 52.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.522 -178.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 37' ' ' PHE . 87.8 tttt -77.64 -49.55 14.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.575 -177.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -60.18 -39.92 88.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.582 -177.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.531 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 11.2 t80 -74.45 -47.31 34.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.496 -177.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -75.8 -19.87 58.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.629 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.465 ' N ' ' O ' ' A' ' 33' ' ' LYS . 3.0 t80 -60.63 -52.07 66.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.586 -179.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.549 ' O ' ' N ' ' A' ' 42' ' ' CYS . 0.3 OUTLIER -77.89 -35.0 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.55 179.796 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 40' ' ' ASP . 75.6 tttt -54.19 -36.58 63.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.601 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 39' ' ' LYS . 66.6 t0 -39.49 -60.42 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.543 -179.372 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 42' ' ' CYS . 2.2 p -111.15 -6.5 14.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.509 -179.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.607 ' SG ' ' O ' ' A' ' 42' ' ' CYS . 16.8 p 36.45 60.31 3.34 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.571 -178.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.525 ' C ' ' H ' ' A' ' 45' ' ' PHE . 55.2 Cg_endo -79.94 -8.04 14.36 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.905 2.403 . . . . 0.0 112.112 -179.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -71.86 20.61 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.501 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.576 ' O ' ' N ' ' A' ' 49' ' ' GLY . 2.4 m-85 56.05 82.08 0.25 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.619 179.332 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -49.41 -24.32 8.63 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.846 2.364 . . . . 0.0 112.102 -177.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -84.39 -51.84 6.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.567 -178.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.417 ' HB3' HG22 ' A' ' 50' ' ' THR . 0.5 OUTLIER -88.45 -12.24 43.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.596 -178.683 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.576 ' N ' ' O ' ' A' ' 45' ' ' PHE . . . 39.59 28.74 0.13 Allowed Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -178.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.417 HG22 ' HB3' ' A' ' 48' ' ' GLU . 8.8 t -91.0 169.85 10.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.775 0.322 . . . . 0.0 110.56 -179.043 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.465 ' HB ' HD11 ' A' ' 90' ' ' ILE . 0.9 OUTLIER -101.61 141.16 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.611 178.159 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -135.16 123.68 23.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.522 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.8 mm -72.03 -40.74 67.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.534 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -61.9 -59.58 4.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.531 -178.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -62.69 -31.03 71.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.601 -179.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 23.9 t-105 -58.59 -40.76 84.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.524 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 90.5 mtm180 -66.79 -33.39 75.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.59 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.526 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 78.4 ttt-85 -62.33 -53.4 55.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.522 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 p -64.47 -40.51 89.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.602 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -60.67 -48.77 84.58 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -71.0 -39.11 72.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.744 0.306 . . . . 0.0 110.525 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.526 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 97.3 m -63.42 -37.62 87.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.543 -178.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -82.37 -42.41 18.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.522 -179.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -65.41 -36.84 85.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.592 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.796 ' O ' HG23 ' A' ' 69' ' ' THR . 14.7 t70 -64.67 -54.39 32.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.552 -179.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.414 ' O ' ' OG1' ' A' ' 69' ' ' THR . 22.9 m-85 -69.21 -41.28 77.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.535 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.462 ' O ' ' N ' ' A' ' 71' ' ' GLY . 51.6 t80 -62.07 -46.75 87.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.518 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 61.4 t-20 -64.43 -38.94 92.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.584 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.796 HG23 ' O ' ' A' ' 65' ' ' ASP . 39.9 p -63.58 -32.94 74.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.621 -179.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -110.97 11.43 22.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.601 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 67' ' ' TYR . . . -130.94 -156.82 8.68 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -79.82 159.35 24.6 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.817 2.345 . . . . 0.0 112.117 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -80.79 -26.19 37.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.557 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.469 ' O ' ' O ' ' A' ' 75' ' ' VAL . 21.9 mtpt -62.3 -46.98 86.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.55 179.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.469 ' O ' ' O ' ' A' ' 74' ' ' LYS . 26.9 t 59.1 131.55 0.02 OUTLIER Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.508 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -50.24 123.5 11.2 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.83 2.353 . . . . 0.0 112.107 178.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 65.3 t -82.71 -25.06 8.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.531 -179.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.418 ' H ' HG23 ' A' ' 78' ' ' THR . 17.1 p -47.89 -27.34 2.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.6 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.84 -23.19 60.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.6 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -70.6 -34.76 72.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.572 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 41.2 m -70.15 -40.75 74.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.548 -179.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.519 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 2.8 m-85 -58.45 -50.01 75.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.581 -179.403 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 18.9 t90 -59.55 -41.7 90.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.538 -179.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -65.73 -42.82 90.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.508 -178.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.441 HD12 ' OE2' ' A' ' 88' ' ' GLU . 57.0 tp -71.06 -42.18 69.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.563 -177.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -69.83 -34.47 60.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.583 179.044 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 40.5 tttt -57.96 -38.17 75.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.574 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.441 ' OE2' HD12 ' A' ' 85' ' ' LEU . 12.8 pt-20 -87.17 -22.83 25.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.618 -178.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.632 HD13 ' O ' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -58.89 -45.72 89.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.525 -178.405 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.465 HD11 ' HB ' ' A' ' 51' ' ' ILE . 9.8 mt -61.99 -43.02 97.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.548 -179.201 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -60.62 -35.48 76.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.598 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 96.6 mttt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.602 -179.435 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.9 tp . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.803 0.335 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.4 p -56.2 -34.5 66.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.561 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -57.26 -41.99 80.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.601 179.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -59.35 -50.4 74.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.572 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -49.46 -34.72 17.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.578 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -77.29 -52.27 9.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.551 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.592 ' CE2' HD23 ' A' ' 15' ' ' LEU . 68.3 t80 -49.57 -43.81 46.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.593 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.5 t -59.62 -57.75 10.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.637 -178.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.6 -43.63 84.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.575 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.638 ' O ' ' N ' ' A' ' 17' ' ' GLN . 65.8 tp60 -63.83 -78.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.566 -179.251 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.624 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -32.2 -42.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.59 179.645 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.816 ' HZ1' ' HG ' ' A' ' 31' ' ' LEU . 66.0 mttt -63.71 -43.03 97.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.539 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.638 ' N ' ' O ' ' A' ' 14' ' ' GLN . 71.1 mt-30 -60.1 -58.32 9.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.53 178.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.493 ' O ' ' CG2' ' A' ' 21' ' ' THR . . . -52.57 -16.7 0.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.554 178.331 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.597 HD22 HG21 ' A' ' 24' ' ' VAL . 5.8 mt -90.36 -49.7 6.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.606 178.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 19' ' ' LEU . 64.0 tttm -38.02 -42.77 0.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.597 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.493 ' CG2' ' O ' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -55.58 -37.55 68.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.613 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.545 ' N ' ' O ' ' A' ' 19' ' ' LEU . 75.4 mmt-85 -69.0 -9.77 54.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.497 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.32 29.53 4.2 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.597 HG21 HD22 ' A' ' 19' ' ' LEU . 3.5 t -104.61 169.8 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.867 0.365 . . . . 0.0 110.574 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.554 ' H ' HG12 ' A' ' 24' ' ' VAL . 67.7 mmtt -112.14 148.36 34.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.565 179.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.4 m -120.69 17.21 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.586 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.533 ' NZ ' ' OD2' ' A' ' 30' ' ' ASP . 19.0 pttp -52.43 164.59 0.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.552 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -60.56 -34.44 74.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.542 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.496 ' HB3' ' HD2' ' A' ' 27' ' ' LYS . . . -58.85 -22.17 58.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.577 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.533 ' OD2' ' NZ ' ' A' ' 27' ' ' LYS . 81.3 m-20 -72.04 -42.92 65.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.564 -179.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.816 ' HG ' ' HZ1' ' A' ' 16' ' ' LYS . 4.6 mp -61.34 -43.59 98.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.563 -179.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 51.4 mt -48.6 -67.27 0.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.555 -178.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.536 ' O ' ' N ' ' A' ' 37' ' ' PHE . 88.8 tttt -69.4 -49.13 58.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.585 -177.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.44 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 59.1 t80 -57.82 -42.82 85.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.656 -176.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.529 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 17.1 t80 -71.1 -47.38 58.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.585 -177.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -76.86 -19.92 56.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.566 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.536 ' N ' ' O ' ' A' ' 33' ' ' LYS . 3.5 t80 -63.2 -51.99 64.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.601 -178.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.537 ' O ' ' N ' ' A' ' 42' ' ' CYS . 3.3 m -75.1 -37.64 40.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.561 -179.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 40' ' ' ASP . 50.0 tttp -60.1 -38.98 84.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.498 -179.158 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 39' ' ' LYS . 94.0 m-20 -39.24 -52.14 1.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.514 -179.613 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.463 ' O ' ' C ' ' A' ' 42' ' ' CYS . 17.9 p -113.88 -4.21 13.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.531 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.537 ' N ' ' O ' ' A' ' 38' ' ' VAL . 6.9 p 35.04 60.52 2.41 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.619 -179.565 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.407 ' HD3' ' N ' ' A' ' 42' ' ' CYS . 57.9 Cg_endo -78.25 -35.89 1.14 Allowed 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.865 2.377 . . . . 0.0 112.141 -179.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.594 ' HE1' ' H ' ' A' ' 52' ' ' ASP . 0.1 OUTLIER -77.6 3.21 14.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.586 -179.47 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.528 ' C ' ' H ' ' A' ' 47' ' ' GLN . 60.9 m-85 55.33 50.31 5.82 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.519 -179.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 45' ' ' PHE . 6.4 Cg_endo -48.09 -6.29 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.821 2.347 . . . . 0.0 112.064 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.528 ' H ' ' C ' ' A' ' 45' ' ' PHE . 98.5 mm-40 -62.93 -56.24 18.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.502 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -92.78 -30.2 15.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.518 179.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.53 87.12 1.37 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.8 t -142.68 166.64 24.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.782 0.325 . . . . 0.0 110.595 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.428 ' O ' ' OD2' ' A' ' 52' ' ' ASP . 0.3 OUTLIER -117.56 136.9 53.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.595 179.617 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.594 ' H ' ' HE1' ' A' ' 44' ' ' TRP . 96.3 m-20 -139.85 122.01 15.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.554 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 30.0 mm -75.68 -39.97 39.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.574 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -64.55 -53.38 48.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.607 -178.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.47 ' CZ ' ' CZ ' ' A' ' 45' ' ' PHE . 78.8 mtp85 -64.13 -33.82 76.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.567 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.584 ' CE3' ' CH2' ' A' ' 44' ' ' TRP . 13.4 t-105 -58.38 -37.41 75.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.62 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 71.4 ttp85 -66.97 -39.79 87.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.637 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.486 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 94.4 mtt-85 -57.33 -52.26 66.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.52 -179.603 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.8 p -66.25 -33.02 60.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.555 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.06 -46.13 82.73 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -75.92 -34.27 59.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.829 0.347 . . . . 0.0 110.552 -179.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.486 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 91.4 m -65.58 -38.86 90.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.564 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -82.17 -40.46 21.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.533 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -66.12 -35.99 81.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.545 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.815 ' O ' HG23 ' A' ' 69' ' ' THR . 10.6 t0 -66.75 -52.92 38.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.558 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.485 ' O ' ' OG1' ' A' ' 69' ' ' THR . 7.7 m-85 -67.97 -38.18 82.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.528 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.436 ' CD1' ' HG3' ' A' ' 72' ' ' PRO . 57.8 t80 -69.27 -41.27 77.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.536 -179.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.469 ' O ' ' N ' ' A' ' 71' ' ' GLY . 43.5 t-20 -62.79 -40.78 98.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.593 -178.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.815 HG23 ' O ' ' A' ' 65' ' ' ASP . 76.1 p -49.52 -19.54 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.607 -179.108 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -93.58 15.27 16.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.588 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 39.29 61.66 1.43 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.436 ' HG3' ' CD1' ' A' ' 67' ' ' TYR . 57.6 Cg_endo -80.3 132.61 9.28 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.854 2.369 . . . . 0.0 112.13 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -89.74 -32.1 17.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.537 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.514 ' O ' ' C ' ' A' ' 75' ' ' VAL . 50.8 mmtt -61.64 -49.07 78.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.6 -178.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.514 ' C ' ' O ' ' A' ' 74' ' ' LYS . 99.3 t 29.98 85.0 0.15 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.574 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_exo -55.87 125.23 18.42 Favored 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 122.772 2.315 . . . . 0.0 112.16 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 62.3 t -82.24 -22.91 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.569 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.7 p -44.56 -31.69 1.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.519 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.78 -35.03 68.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.512 179.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -73.74 -34.88 64.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.552 -179.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 77.9 p -69.12 -37.46 78.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.581 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.487 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 2.9 m-85 -61.89 -49.11 77.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.533 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 29.6 t90 -60.4 -38.13 82.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.541 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -63.3 -51.34 66.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.644 -178.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.41 HD23 HD11 ' A' ' 15' ' ' LEU . 62.2 tp -65.15 -50.06 67.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.584 -179.291 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -61.53 -40.22 85.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.547 -179.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 53.9 tttt -50.78 -49.02 59.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.572 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.424 ' C ' ' CD ' ' A' ' 88' ' ' GLU . 0.5 OUTLIER -84.49 -17.64 38.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.524 -178.83 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 89' ' ' LEU . 33.2 tp -60.79 -43.32 98.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.609 -178.133 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 30.5 mt -61.54 -45.37 98.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.53 -179.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -63.31 -11.72 24.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.612 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 78.7 tttt . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.594 179.902 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 40.3 tp . . . . . 0 C--O 1.239 0.542 0 CA-C-O 121.257 0.551 . . . . 0.0 110.465 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 t -55.11 -28.6 53.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.258 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.785 HE22 HH11 ' A' ' 10' ' ' ARG . 67.5 tp60 -57.2 -46.64 82.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.388 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -59.39 -47.85 83.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.132 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -50.26 -34.14 22.17 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.142 0.496 . . . . 0.0 110.297 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.785 HH11 HE22 ' A' ' 7' ' ' GLN . 53.7 ttp180 -79.33 -49.93 11.66 Favored 'General case' 0 C--O 1.215 -0.737 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.453 179.143 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.451 ' O ' ' CB ' ' A' ' 15' ' ' LEU . 43.0 t80 -52.98 -41.75 64.89 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.089 0.471 . . . . 0.0 110.35 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.422 HG12 ' N ' ' A' ' 13' ' ' GLU . 3.2 t -62.2 -60.58 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.271 -179.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.422 ' N ' HG12 ' A' ' 12' ' ' VAL . 78.8 tt0 -69.08 -45.35 70.54 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.301 -178.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.56 ' O ' ' N ' ' A' ' 17' ' ' GLN . 65.0 tp60 -65.22 -77.22 0.06 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.613 -179.051 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.723 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -34.7 -46.0 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.611 -178.678 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.586 ' HZ2' ' CD1' ' A' ' 31' ' ' LEU . 69.8 mttt -53.52 -43.99 68.79 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.605 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.56 ' N ' ' O ' ' A' ' 14' ' ' GLN . 86.2 mt-30 -60.9 -54.66 42.37 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.078 0.466 . . . . 0.0 109.814 178.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.508 ' O ' HG23 ' A' ' 21' ' ' THR . . . -56.21 -14.75 2.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.497 178.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.612 HD22 HG21 ' A' ' 24' ' ' VAL . 3.4 mt -88.41 -50.98 5.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.987 178.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -43.01 -42.64 3.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.673 -179.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.508 HG23 ' O ' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -58.72 -31.13 68.0 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.684 179.772 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 19' ' ' LEU . 79.1 mmt-85 -71.17 -8.08 51.06 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.577 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.49 21.08 8.14 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.67 HG12 ' N ' ' A' ' 25' ' ' LYS . 21.2 t -103.39 171.54 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.678 0.275 . . . . 0.0 110.611 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.67 ' N ' HG12 ' A' ' 24' ' ' VAL . 60.4 mttp -115.33 144.85 43.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.393 179.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.779 ' O ' HG23 ' A' ' 26' ' ' VAL . 18.8 m -124.0 84.25 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 121.102 0.477 . . . . 0.0 110.576 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.7 pttt -108.3 166.15 10.97 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.812 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.489 ' CZ ' HD21 ' A' ' 32' ' ' LEU . 75.7 t80 -55.83 -37.32 68.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.107 0.48 . . . . 0.0 110.625 179.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.12 -21.79 59.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.673 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -71.59 -40.83 69.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.794 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.586 ' CD1' ' HZ2' ' A' ' 16' ' ' LYS . 4.3 mp -63.94 -40.8 97.28 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-O 121.126 0.489 . . . . 0.0 110.269 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.489 HD21 ' CZ ' ' A' ' 28' ' ' TYR . 46.1 mt -58.22 -53.52 57.35 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.429 -0.508 . . . . 0.0 111.092 -178.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -75.24 -53.72 8.31 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.13 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.417 ' O ' HG22 ' A' ' 38' ' ' VAL . 54.7 t80 -55.64 -42.1 74.52 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.47 -177.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.482 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 5.3 t80 -72.07 -44.19 63.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.125 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -74.73 -22.59 58.73 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 121.018 0.437 . . . . 0.0 110.676 -179.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -64.23 -53.56 47.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.765 -178.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' A' ' 42' ' ' CYS . 3.8 m -74.75 -37.16 42.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.007 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -56.65 -31.24 64.19 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.535 -179.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -43.53 -63.75 0.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.856 -179.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 46.3 p -114.69 -5.93 12.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.853 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.517 ' N ' ' O ' ' A' ' 38' ' ' VAL . 3.9 m 48.04 63.86 9.57 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.14 0.495 . . . . 0.0 110.631 -178.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.627 ' C ' ' H ' ' A' ' 45' ' ' PHE . 8.4 Cg_exo -70.77 -20.88 29.52 Favored 'Trans proline' 0 C--N 1.302 -1.868 0 C-N-CA 123.034 2.489 . . . . 0.0 112.291 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.456 ' NE1' HG23 ' A' ' 51' ' ' ILE . 0.1 OUTLIER -64.8 27.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.691 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.627 ' H ' ' C ' ' A' ' 43' ' ' PRO . 0.1 OUTLIER 58.28 93.68 0.05 OUTLIER Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.215 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -75.78 -10.53 19.99 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.819 2.346 . . . . 0.0 112.25 -178.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -84.29 -56.86 3.42 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.535 ' OE1' ' CD2' ' A' ' 45' ' ' PHE . 19.7 pt-20 -90.49 -30.7 17.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.813 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.16 62.71 2.69 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.711 -0.956 . . . . 0.0 110.711 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.1 t -139.99 170.28 16.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.855 0.36 . . . . 0.0 110.752 -179.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.456 HG23 ' NE1' ' A' ' 44' ' ' TRP . 1.2 mt -83.19 142.66 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.318 179.421 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.419 ' C ' ' OD2' ' A' ' 52' ' ' ASP . 56.6 t0 -140.31 121.72 15.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.089 0.471 . . . . 0.0 110.362 179.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 36.6 mm -71.22 -41.73 75.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.069 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -60.8 -56.87 16.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.239 -178.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.469 ' NH1' ' CZ ' ' A' ' 45' ' ' PHE . 92.9 mtt180 -62.49 -34.0 75.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.699 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.541 ' NE1' ' NE1' ' A' ' 83' ' ' TRP . 44.8 t-105 -57.52 -39.51 76.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.091 0.472 . . . . 0.0 110.649 -179.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -66.47 -37.55 85.35 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.389 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.481 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 60.3 ttt85 -60.43 -53.14 61.15 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.842 -179.385 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.4 p -63.26 -37.5 79.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.58 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -63.33 -47.59 86.38 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -71.99 -36.28 69.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.81 0.338 . . . . 0.0 110.783 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.481 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 85.5 m -64.5 -37.85 88.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.8 -179.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -84.98 -39.47 18.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.907 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -63.9 -39.74 94.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.335 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.692 ' O ' HG23 ' A' ' 69' ' ' THR . 11.5 t0 -66.74 -51.61 53.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.544 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.477 ' O ' ' OG1' ' A' ' 69' ' ' THR . 71.1 t80 -63.34 -40.07 96.28 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.537 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.421 ' CE2' ' CG ' ' A' ' 72' ' ' PRO . 59.9 t80 -69.9 -38.34 76.27 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.722 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.504 ' O ' ' N ' ' A' ' 71' ' ' GLY . 34.9 t30 -64.09 -40.04 95.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.054 -178.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.692 HG23 ' O ' ' A' ' 65' ' ' ASP . 55.1 p -48.4 -20.44 0.41 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.846 -179.106 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -92.27 14.87 15.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.786 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 40.48 60.11 2.12 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.466 ' O ' HG23 ' A' ' 75' ' ' VAL . 58.6 Cg_endo -78.7 129.35 9.13 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 122.793 2.329 . . . . 0.0 112.22 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.5 tp10 -87.8 -27.12 22.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.641 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.519 ' O ' ' C ' ' A' ' 75' ' ' VAL . 54.7 mmtt -64.37 -47.29 79.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.86 -178.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.519 ' C ' ' O ' ' A' ' 74' ' ' LYS . 73.7 t 25.74 82.49 0.18 Allowed Pre-proline 0 C--O 1.232 0.165 0 O-C-N 123.793 0.683 . . . . 0.0 110.78 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.02 125.95 19.93 Favored 'Trans proline' 0 C--N 1.308 -1.574 0 C-N-CA 122.598 2.199 . . . . 0.0 111.761 -179.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 67.0 t -82.09 -26.64 9.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.785 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.432 HG23 ' H ' ' A' ' 78' ' ' THR . 19.6 p -44.28 -31.02 0.9 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.303 -179.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.23 -31.62 65.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.019 0.438 . . . . 0.0 110.79 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -66.66 -40.09 88.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.972 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 71.3 m -60.6 -40.05 90.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.634 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.517 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 17.5 m-85 -60.01 -46.37 89.69 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.615 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.541 ' NE1' ' NE1' ' A' ' 56' ' ' TRP . 10.3 m0 -55.45 -48.36 74.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.112 -179.26 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -64.99 -41.76 95.11 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.307 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.658 HD23 HD11 ' A' ' 15' ' ' LEU . 53.5 tp -69.89 -58.36 3.96 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.102 -179.112 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -55.69 -39.16 53.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.918 0.39 . . . . 0.0 110.333 179.389 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 64.9 tttt -53.14 -48.94 67.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.548 -178.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.84 -17.23 38.68 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.246 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 89' ' ' LEU . 29.5 tp -60.59 -42.27 96.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.485 -176.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 28.7 mt -60.38 -42.48 91.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.469 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -74.55 -5.44 42.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.556 -179.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 73.8 tttt . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.721 -179.565 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 38.2 tp . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.868 0.366 . . . . 0.0 110.611 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.3 m -55.82 -35.92 66.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.552 179.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -55.99 -41.8 75.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.584 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -57.3 -51.39 69.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.638 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -48.01 -36.88 13.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.601 177.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 93.0 mtt-85 -77.84 -48.83 15.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.562 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -47.29 -44.98 23.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.496 178.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.3 t -61.51 -53.84 43.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.521 -178.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -67.3 -45.6 76.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.584 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.667 ' O ' ' N ' ' A' ' 17' ' ' GLN . 68.2 tp60 -65.63 -78.74 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.563 -179.176 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.639 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -30.23 -48.76 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.612 -179.765 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.773 ' HZ1' ' HG ' ' A' ' 31' ' ' LEU . 62.1 mttt -60.88 -41.09 95.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.629 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.667 ' N ' ' O ' ' A' ' 14' ' ' GLN . 75.5 mt-30 -66.33 -59.93 3.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.547 178.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.498 ' O ' ' CG2' ' A' ' 21' ' ' THR . . . -49.69 -15.94 0.21 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.568 177.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.591 HD22 HG21 ' A' ' 24' ' ' VAL . 5.3 mt -88.13 -50.01 6.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.595 178.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -42.47 -38.12 1.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.58 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 18' ' ' ALA . 1.2 t -64.01 -32.06 73.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.56 -179.387 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 19' ' ' LEU . 24.9 mmm-85 -72.52 -6.52 44.47 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.532 -179.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 106.86 25.72 6.08 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.601 HG12 ' N ' ' A' ' 25' ' ' LYS . 15.0 t -106.75 169.1 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.727 0.299 . . . . 0.0 110.601 179.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.601 ' N ' HG12 ' A' ' 24' ' ' VAL . 68.7 mttm -115.62 144.54 43.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.568 178.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.783 ' O ' HG23 ' A' ' 26' ' ' VAL . 22.2 m -122.6 85.11 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.522 -178.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.529 ' HD3' ' H ' ' A' ' 29' ' ' ALA . 11.8 tmtt? -110.12 161.99 15.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.572 178.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.561 ' CZ ' HD21 ' A' ' 32' ' ' LEU . 72.4 t80 -52.14 -30.84 28.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.534 -179.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.529 ' H ' ' HD3' ' A' ' 27' ' ' LYS . . . -61.81 -23.1 66.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.587 179.679 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.444 ' CB ' ' HZ3' ' A' ' 16' ' ' LYS . 88.3 m-20 -73.01 -41.91 63.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.559 -178.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.773 ' HG ' ' HZ1' ' A' ' 16' ' ' LYS . 2.8 mp -60.01 -43.74 95.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.589 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.561 HD21 ' CZ ' ' A' ' 28' ' ' TYR . 62.3 mt -49.58 -66.59 0.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.61 -179.188 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.504 ' O ' ' N ' ' A' ' 37' ' ' PHE . 87.8 tttt -69.52 -54.07 16.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.58 -178.147 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.439 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 63.4 t80 -52.1 -45.76 64.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.541 -176.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.532 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 20.5 t80 -68.62 -42.46 78.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.57 -177.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -77.33 -20.78 54.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.624 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.504 ' N ' ' O ' ' A' ' 33' ' ' LYS . 77.9 t80 -61.93 -48.84 78.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.567 -178.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.538 ' O ' ' N ' ' A' ' 42' ' ' CYS . 2.9 m -80.01 -33.0 14.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.547 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.447 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 79.6 tttt -56.8 -33.39 66.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.503 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -42.27 -62.9 0.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.595 -179.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.5 p -116.33 -0.29 12.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.535 -179.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.552 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 20.0 m 40.13 61.99 6.05 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.502 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.593 ' C ' ' H ' ' A' ' 45' ' ' PHE . 8.0 Cg_exo -71.25 -18.67 30.11 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.757 2.305 . . . . 0.0 112.168 -179.455 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -68.55 28.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.564 -178.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.628 ' O ' ' N ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER 54.01 91.85 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.587 179.344 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -54.92 -36.35 91.69 Favored 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.826 2.351 . . . . 0.0 112.141 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -85.46 -43.57 13.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.551 -178.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.507 ' HB3' HG22 ' A' ' 50' ' ' THR . 0.4 OUTLIER -85.46 -17.69 35.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.592 -178.559 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.628 ' N ' ' O ' ' A' ' 45' ' ' PHE . . . 43.67 23.31 0.33 Allowed Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -178.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.507 HG22 ' HB3' ' A' ' 48' ' ' GLU . 7.1 t -98.36 171.77 7.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.778 0.323 . . . . 0.0 110.577 -179.319 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.7 mt -90.13 141.6 14.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.545 178.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -135.29 120.29 18.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.58 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 26.9 mm -72.72 -41.29 62.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.571 -179.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -62.78 -54.69 35.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.584 -177.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 -66.1 -34.38 77.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.516 -179.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 41.1 t-105 -58.66 -36.96 74.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.561 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 77.4 mtp85 -67.86 -38.59 83.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.541 178.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.503 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 77.3 mtp85 -59.56 -52.0 67.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.604 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.2 p -63.57 -38.31 81.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.556 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -64.27 -50.21 61.35 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -69.58 -37.4 76.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.73 0.3 . . . . 0.0 110.5 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.503 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 68.1 m -62.15 -39.93 94.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.545 -179.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -82.89 -40.88 19.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.565 -179.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -63.63 -40.54 97.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.614 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.523 ' O ' HG23 ' A' ' 69' ' ' THR . 40.4 t0 -65.52 -50.99 63.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.615 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.428 ' O ' ' OG1' ' A' ' 69' ' ' THR . 61.1 t80 -63.83 -41.48 97.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.609 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -65.08 -38.85 92.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.563 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.541 ' O ' ' N ' ' A' ' 71' ' ' GLY . 90.5 m-20 -61.02 -41.4 96.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.554 -178.257 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.523 HG23 ' O ' ' A' ' 65' ' ' ASP . 81.0 p -46.82 -21.43 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.534 -178.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -89.93 15.67 9.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.601 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 38.65 59.44 1.62 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.396 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.435 ' O ' HG23 ' A' ' 75' ' ' VAL . 58.0 Cg_endo -78.07 132.61 11.71 Favored 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 122.804 2.336 . . . . 0.0 112.111 -179.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -89.38 -34.12 16.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.624 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.57 ' O ' ' C ' ' A' ' 75' ' ' VAL . 23.6 mtpt -59.93 -48.02 83.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.543 -178.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.57 ' C ' ' O ' ' A' ' 74' ' ' LYS . 72.0 t 24.11 84.87 0.11 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.572 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -56.93 124.23 15.74 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.881 2.387 . . . . 0.0 112.081 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 84.6 t -83.5 -22.86 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.599 -179.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 28.1 p -45.31 -27.34 0.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.56 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.27 -29.74 64.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.511 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.543 ' CE2' ' ND2' ' A' ' 84' ' ' ASN . 79.5 t80 -63.6 -38.98 93.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.59 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.1 m -66.59 -38.94 88.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.584 -178.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.512 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 6.5 m-85 -54.65 -52.13 63.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.569 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.577 ' CD1' ' N ' ' A' ' 83' ' ' TRP . 7.8 m0 -59.82 -41.94 92.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.545 -178.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.543 ' ND2' ' CE2' ' A' ' 80' ' ' PHE . 67.4 m-20 -66.23 -44.7 83.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.574 -178.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.406 ' HA ' HD12 ' A' ' 85' ' ' LEU . 56.9 tp -68.46 -53.85 20.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.578 -178.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.4 mt -60.28 -40.67 84.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.592 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -49.44 -50.69 39.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.532 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.438 ' C ' ' CD ' ' A' ' 88' ' ' GLU . 0.8 OUTLIER -85.4 -18.69 32.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.513 -178.469 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.423 ' HA ' HD12 ' A' ' 89' ' ' LEU . 41.7 tp -56.55 -42.36 78.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.629 -177.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 23.4 mt -62.45 -42.8 97.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.495 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -67.37 -11.11 56.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.518 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 70.0 tttt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.596 179.836 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.4 tp . . . . . 0 C--O 1.237 0.399 0 CA-C-O 121.146 0.498 . . . . 0.0 110.098 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.2 p -61.91 -35.38 78.19 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.079 0.466 . . . . 0.0 110.282 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -53.32 -41.86 66.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.042 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.514 ' ND1' ' CE1' ' A' ' 35' ' ' PHE . 10.6 t-160 -65.26 -43.97 89.6 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -54.13 -24.4 17.69 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.394 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.404 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 84.0 mtp180 -81.86 -52.09 7.45 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.155 179.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.591 ' CE2' HD23 ' A' ' 15' ' ' LEU . 47.0 t80 -59.37 -36.54 75.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.272 0.558 . . . . 0.0 110.051 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.9 t -65.02 -56.55 15.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 C-N-CA 120.356 -0.538 . . . . 0.0 111.266 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -70.58 -30.38 67.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.865 0.364 . . . . 0.0 111.398 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 17' ' ' GLN . 69.3 tp60 -77.02 -72.98 0.32 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.747 -179.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.591 HD23 ' CE2' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -41.72 -43.61 2.93 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -178.301 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.424 ' HB3' HG11 ' A' ' 26' ' ' VAL . 97.2 mttt -62.86 -43.36 99.0 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.201 -0.6 . . . . 0.0 110.924 179.244 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 14' ' ' GLN . 1.0 OUTLIER -50.05 -51.45 42.34 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-O 121.824 0.821 . . . . 0.0 110.165 -179.223 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.536 ' O ' HG22 ' A' ' 21' ' ' THR . . . -60.46 -58.13 9.78 Favored 'General case' 0 C--O 1.212 -0.89 0 C-N-CA 120.149 -0.62 . . . . 0.0 109.792 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.624 HD13 ' CZ ' ' A' ' 82' ' ' TYR . 5.3 mt -41.19 -47.48 3.31 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 123.61 0.568 . . . . 0.0 109.949 -179.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -49.61 -34.47 18.1 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.536 HG22 ' O ' ' A' ' 18' ' ' ALA . 0.7 OUTLIER -60.9 -33.21 72.78 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.081 179.334 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.2 mmt85 -73.25 11.3 0.77 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.465 -179.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.442 ' H ' ' C ' ' A' ' 21' ' ' THR . . . 95.43 -6.51 68.25 Favored Glycine 0 N--CA 1.465 0.611 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.545 HG12 ' N ' ' A' ' 25' ' ' LYS . 11.4 t -70.44 168.69 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 120.931 -0.308 . . . . 0.0 110.46 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.545 ' N ' HG12 ' A' ' 24' ' ' VAL . 51.2 tttp -123.56 130.6 52.91 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.175 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.742 ' O ' HG23 ' A' ' 26' ' ' VAL . 20.2 m -120.29 102.99 13.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 CA-C-O 121.12 0.486 . . . . 0.0 110.674 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.465 ' HD2' ' HB3' ' A' ' 29' ' ' ALA . 40.6 pttt -109.65 164.73 12.27 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.977 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.457 ' CE2' HD21 ' A' ' 32' ' ' LEU . 79.5 t80 -56.74 -36.12 69.39 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.242 0.544 . . . . 0.0 110.378 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.465 ' HB3' ' HD2' ' A' ' 27' ' ' LYS . . . -59.31 -22.45 61.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.943 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -72.46 -36.16 68.43 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.478 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.7 mp -68.21 -40.12 82.21 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.475 0.655 . . . . 0.0 110.048 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.457 HD21 ' CE2' ' A' ' 28' ' ' TYR . 39.6 mt -60.87 -39.98 91.24 Favored 'General case' 0 C--N 1.313 -1.011 0 C-N-CA 119.955 -0.698 . . . . 0.0 111.261 -179.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -85.26 -49.18 8.4 Favored 'General case' 0 C--O 1.215 -0.733 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.859 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.448 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 82.2 t80 -61.65 -39.28 90.77 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.106 0.479 . . . . 0.0 112.247 -179.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.514 ' CE1' ' ND1' ' A' ' 8' ' ' HIS . 1.8 t80 -76.13 -51.62 11.82 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.554 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -64.07 -30.4 71.47 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 121.099 0.476 . . . . 0.0 110.94 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -59.88 -49.7 76.65 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.845 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.582 ' O ' ' N ' ' A' ' 42' ' ' CYS . 0.0 OUTLIER -66.7 -35.72 75.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.169 -0.612 . . . . 0.0 110.675 179.833 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.5 mttt -52.71 -34.7 53.6 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.792 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -46.02 -64.19 0.8 Allowed 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.496 -0.482 . . . . 0.0 111.438 -179.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.2 p -111.98 -25.22 9.5 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.944 0.402 . . . . 0.0 111.383 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.582 ' N ' ' O ' ' A' ' 38' ' ' VAL . 1.3 m 57.39 50.44 4.3 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-O 121.374 0.607 . . . . 0.0 110.253 -179.381 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.529 ' C ' ' H ' ' A' ' 45' ' ' PHE . 62.2 Cg_endo -78.83 -21.17 9.89 Favored 'Trans proline' 0 C--N 1.308 -1.564 0 C-N-CA 122.129 1.886 . . . . 0.0 112.635 -179.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.626 ' CZ3' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -71.1 23.66 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.291 -179.614 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.529 ' H ' ' C ' ' A' ' 43' ' ' PRO . 10.0 m-85 40.67 74.82 0.67 Allowed Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.532 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -75.53 -11.23 20.55 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.545 2.163 . . . . 0.0 112.202 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -66.8 -56.37 10.75 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.471 -0.491 . . . . 0.0 110.466 -179.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -94.1 -14.71 25.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.022 0.439 . . . . 0.0 110.299 178.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.06 71.6 0.85 Allowed Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.9 t -125.61 169.32 12.6 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 110.476 -0.194 . . . . 0.0 110.476 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -113.0 142.62 24.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.779 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -144.25 121.6 11.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.685 0.279 . . . . 0.0 110.315 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 25.4 mm -71.01 -41.13 76.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.891 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -63.62 -58.31 7.34 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.83 -178.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -63.33 -35.9 81.92 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.508 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.626 ' CZ3' ' CZ3' ' A' ' 44' ' ' TRP . 21.5 t-105 -58.66 -40.18 82.75 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.952 -179.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 79.6 ttt-85 -65.2 -39.54 92.96 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.024 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.527 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 95.5 mtt-85 -58.76 -53.17 61.38 Favored 'General case' 0 C--O 1.226 -0.161 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.293 -179.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.7 p -64.47 -36.48 77.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.688 179.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.55 -54.11 36.5 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 120.628 -0.796 . . . . 0.0 111.748 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -70.49 -36.88 74.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.871 0.367 . . . . 0.0 111.13 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.527 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 91.0 m -63.1 -40.46 97.72 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.426 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -85.04 -46.32 11.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.303 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -60.21 -27.79 67.46 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.811 -179.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.827 ' O ' HG23 ' A' ' 69' ' ' THR . 26.9 t0 -76.63 -58.25 3.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.9 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.432 ' O ' ' OG1' ' A' ' 69' ' ' THR . 22.9 m-85 -64.43 -40.5 95.88 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.069 0.461 . . . . 0.0 111.493 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -62.98 -47.11 84.56 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -64.21 -39.25 93.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.743 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.827 HG23 ' O ' ' A' ' 65' ' ' ASP . 51.5 p -58.25 -24.84 60.68 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.105 -179.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -115.34 8.07 15.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.251 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -148.93 -160.31 9.03 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -64.97 141.01 68.74 Favored 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 123.338 2.692 . . . . 0.0 111.757 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -82.33 -37.16 26.14 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.066 0.46 . . . . 0.0 110.027 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.561 ' O ' ' O ' ' A' ' 75' ' ' VAL . 35.8 mmtt -72.01 -45.94 59.01 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.637 -178.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.561 ' O ' ' O ' ' A' ' 74' ' ' LYS . 0.1 OUTLIER 44.04 169.95 0.0 OUTLIER Pre-proline 0 CA--C 1.546 0.794 0 O-C-N 124.543 1.152 . . . . 0.0 111.857 179.496 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -57.44 124.82 17.02 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 120.567 0.845 . . . . 0.0 111.446 178.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.408 ' O ' HG12 ' A' ' 77' ' ' VAL . 46.5 t -84.99 -14.78 11.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.136 179.171 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 47.1 p -44.49 -24.7 0.2 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.059 0.457 . . . . 0.0 110.67 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.414 ' O ' ' CE2' ' A' ' 83' ' ' TRP . . . -58.87 -17.43 23.96 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.877 179.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -66.74 -42.33 86.4 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.175 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.4 m -61.9 -39.33 91.6 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 120.868 0.366 . . . . 0.0 110.756 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.624 ' CZ ' HD13 ' A' ' 19' ' ' LEU . 14.5 m-85 -59.32 -50.16 75.04 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.94 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.594 ' CD1' ' N ' ' A' ' 83' ' ' TRP . 6.7 m0 -58.1 -40.84 82.2 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.764 -0.374 . . . . 0.0 111.278 -179.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -64.5 -46.13 84.31 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.763 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 60.5 tp -69.8 -51.87 30.02 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.753 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -59.8 -35.44 60.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 C-N-CA 120.602 -0.439 . . . . 0.0 109.9 -179.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 68.8 tttt -58.19 -45.85 86.83 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.56 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -84.59 -17.54 38.43 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.76 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 30.3 tp -64.15 -43.21 95.92 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -176.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 7.3 mt -62.54 -42.47 95.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.765 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -49.25 -34.07 14.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.364 -178.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 C--N 1.326 -0.45 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.261 179.602 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.693 HD13 ' N ' ' A' ' 6' ' ' SER . 2.0 tm? . . . . . 0 CA--C 1.509 -0.611 0 CA-C-O 120.431 0.157 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.693 ' N ' HD13 ' A' ' 5' ' ' LEU . 24.3 p -43.37 -44.62 5.74 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.756 -177.069 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.487 ' O ' ' CB ' ' A' ' 11' ' ' TYR . 44.0 tt0 -48.63 -60.93 2.31 Favored 'General case' 0 C--O 1.214 -0.766 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.076 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 49.6 m170 -52.3 -41.52 63.0 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.387 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -65.51 -62.76 1.34 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.977 -179.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -67.08 -45.96 75.71 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.758 -178.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.487 ' CB ' ' O ' ' A' ' 7' ' ' GLN . 45.8 t80 -49.82 -56.17 11.4 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.157 0.504 . . . . 0.0 110.39 -179.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.49 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 5.7 t -60.77 -61.44 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 C-N-CA 119.862 -0.735 . . . . 0.0 112.182 -179.23 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -58.11 -47.47 83.17 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.609 -0.437 . . . . 0.0 111.941 -178.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.527 ' O ' ' N ' ' A' ' 17' ' ' GLN . 73.0 tp60 -68.29 -75.4 0.1 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.663 -178.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.455 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -38.33 -48.98 1.38 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 123.671 0.607 . . . . 0.0 110.164 -177.61 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' A' ' 12' ' ' VAL . 25.9 mmtt -62.75 -38.48 90.73 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.813 0.339 . . . . 0.0 110.28 179.031 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.527 ' N ' ' O ' ' A' ' 14' ' ' GLN . 68.4 tp60 -70.42 -59.54 2.8 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.168 179.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.465 ' O ' ' CG2' ' A' ' 21' ' ' THR . . . -44.52 -20.85 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.024 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 22' ' ' ARG . 7.6 mt -85.01 -51.29 6.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.342 178.185 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -44.32 -41.07 5.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.894 -178.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.465 ' CG2' ' O ' ' A' ' 18' ' ' ALA . 0.8 OUTLIER -60.84 -29.94 69.81 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.397 -179.726 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 19' ' ' LEU . 58.0 mtt180 -80.85 14.11 2.34 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.699 -0.401 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.47 25.24 36.7 Favored Glycine 0 N--CA 1.468 0.793 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.609 HG12 ' N ' ' A' ' 25' ' ' LYS . 20.9 t -101.35 169.41 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 121.101 -0.24 . . . . 0.0 110.46 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.609 ' N ' HG12 ' A' ' 24' ' ' VAL . 99.0 mttt -114.66 148.62 37.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.582 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.733 ' O ' HG23 ' A' ' 26' ' ' VAL . 30.6 m -111.37 88.11 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.952 0.406 . . . . 0.0 110.729 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.544 ' HD2' ' HB3' ' A' ' 29' ' ' ALA . 48.9 pttt -109.4 163.19 13.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.88 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -64.99 -37.93 89.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.617 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.544 ' HB3' ' HD2' ' A' ' 27' ' ' LYS . . . -57.81 -25.73 61.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.126 -179.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -72.67 -39.11 67.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.827 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.482 ' O ' ' CB ' ' A' ' 35' ' ' PHE . 0.7 OUTLIER -63.59 -41.85 98.31 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.358 0.599 . . . . 0.0 110.309 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.9 mt -49.82 -56.5 10.16 Favored 'General case' 0 C--N 1.31 -1.124 0 C-N-CA 119.649 -0.82 . . . . 0.0 111.249 -178.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -74.27 -52.16 13.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.717 -178.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.402 ' CB ' ' HZ1' ' A' ' 16' ' ' LYS . 14.3 t80 -59.37 -41.0 88.26 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -178.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.482 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 7.2 t80 -67.91 -46.65 70.97 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.793 178.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -71.85 -21.38 61.68 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.86 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -65.39 -57.76 7.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.828 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.536 ' O ' ' N ' ' A' ' 42' ' ' CYS . 2.5 m -71.18 -38.94 72.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.105 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -53.86 -34.93 60.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.605 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -41.44 -62.53 0.85 Allowed 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.916 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.453 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 12.9 p -114.67 2.13 14.39 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.198 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.536 ' N ' ' O ' ' A' ' 38' ' ' VAL . 11.1 p 36.02 62.45 2.74 Favored Pre-proline 0 N--CA 1.463 0.218 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.601 -178.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.543 ' C ' ' H ' ' A' ' 45' ' ' PHE . 6.8 Cg_exo -70.85 -15.26 33.03 Favored 'Trans proline' 0 C--N 1.309 -1.507 0 C-N-CA 122.987 2.458 . . . . 0.0 112.273 -179.269 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.413 ' CE2' HG23 ' A' ' 51' ' ' ILE . 0.9 OUTLIER -70.11 22.6 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.212 0.53 . . . . 0.0 111.258 -179.183 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.543 ' H ' ' C ' ' A' ' 43' ' ' PRO . 2.4 m-85 52.76 91.39 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.183 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -73.59 -6.15 18.25 Favored 'Trans proline' 0 C--N 1.313 -1.301 0 C-N-CA 122.349 2.033 . . . . 0.0 112.416 -179.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -83.0 -57.0 3.47 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.222 -0.591 . . . . 0.0 110.971 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.436 ' H ' ' HG2' ' A' ' 48' ' ' GLU . 8.2 pt-20 -92.95 -17.57 23.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.817 179.055 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 63.49 73.83 0.5 Allowed Glycine 0 CA--C 1.527 0.837 0 N-CA-C 110.328 -1.109 . . . . 0.0 110.328 -178.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.1 t -150.72 169.74 20.89 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.896 0.379 . . . . 0.0 110.938 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.45 ' HB ' HD11 ' A' ' 90' ' ' ILE . 2.0 mt -87.53 151.36 3.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.071 179.311 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -140.35 122.13 15.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.821 0.344 . . . . 0.0 110.288 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.9 mm -70.21 -41.62 78.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.139 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -62.89 -54.37 39.65 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.13 0.491 . . . . 0.0 111.543 -178.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -66.01 -35.68 81.22 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.334 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 35.1 t-105 -55.79 -37.32 68.45 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 121.209 0.528 . . . . 0.0 110.579 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -68.21 -40.25 82.16 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.93 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.434 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 45.9 mtm-85 -60.06 -49.65 76.84 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.56 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.447 HG13 ' N ' ' A' ' 60' ' ' GLY . 4.0 p -66.32 -43.11 91.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 CA-C-O 120.96 0.409 . . . . 0.0 110.41 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.447 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -60.58 -48.92 83.79 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 -179.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.444 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 63.7 t0 -70.46 -38.72 74.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.968 0.413 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.434 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 17.4 m -57.34 -43.47 83.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.695 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -75.97 -35.4 59.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.802 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -62.63 -47.64 82.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.796 -179.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.441 ' O ' HG23 ' A' ' 69' ' ' THR . 20.2 t0 -61.18 -50.88 71.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.728 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -61.37 -44.64 96.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.954 0.407 . . . . 0.0 110.845 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.412 ' CD1' ' HG3' ' A' ' 72' ' ' PRO . 71.0 t80 -62.42 -37.51 86.12 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.477 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.409 ' O ' ' N ' ' A' ' 71' ' ' GLY . 93.3 m-20 -61.91 -39.8 93.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.406 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.441 HG23 ' O ' ' A' ' 65' ' ' ASP . 64.1 p -50.31 -29.56 10.07 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.578 -179.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -79.01 13.3 1.81 Allowed 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.692 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.418 ' N ' ' HD3' ' A' ' 72' ' ' PRO . . . 40.34 58.32 2.47 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.216 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.445 ' O ' HG23 ' A' ' 75' ' ' VAL . 58.3 Cg_endo -78.36 131.08 10.41 Favored 'Trans proline' 0 C--N 1.309 -1.542 0 C-N-CA 122.806 2.337 . . . . 0.0 112.332 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -87.65 -34.15 18.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.121 0.486 . . . . 0.0 110.881 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 75' ' ' VAL . 49.5 mmtt -61.85 -46.6 88.75 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.071 -178.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 75' ' ' VAL . 76.9 t 29.67 80.13 0.24 Allowed Pre-proline 0 N--CA 1.466 0.342 0 O-C-N 123.607 0.567 . . . . 0.0 111.115 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -56.01 125.83 20.37 Favored 'Trans proline' 0 C--N 1.311 -1.423 0 C-N-CA 121.872 1.715 . . . . 0.0 111.54 -178.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 79' ' ' ALA . 87.4 t -82.39 -19.11 10.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.887 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 67.4 p -42.08 -24.68 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.693 -179.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 77' ' ' VAL . . . -56.5 -22.97 36.3 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.78 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -68.48 -40.51 80.94 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.868 179.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 32.6 m -63.18 -41.59 99.23 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.915 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.437 ' CE1' HD11 ' A' ' 19' ' ' LEU . 30.5 m-85 -58.41 -47.51 83.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.781 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 56.2 t-105 -56.22 -48.54 76.25 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.513 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -66.67 -40.17 88.46 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.746 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 61.1 tp -67.53 -65.28 0.71 Allowed 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 120.972 0.415 . . . . 0.0 111.037 -179.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -52.55 -31.93 16.27 Favored 'Isoleucine or valine' 0 C--O 1.241 0.631 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.204 -179.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 46.6 tttt -59.57 -41.79 91.02 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.278 -179.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.23 -19.15 34.43 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-O 120.809 0.338 . . . . 0.0 111.568 179.537 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.553 HD13 ' O ' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -61.17 -46.51 90.22 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 119.887 -0.725 . . . . 0.0 110.124 -177.062 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 92' ' ' LYS . 16.2 mt -64.07 -42.19 94.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 C-N-CA 120.066 -0.653 . . . . 0.0 110.822 -179.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -41.4 -23.91 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.798 -177.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 90' ' ' ILE . 98.3 mttt . . . . . 0 C--N 1.327 -0.405 0 C-N-CA 120.766 -0.373 . . . . 0.0 110.401 179.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 32.7 tp . . . . . 0 C--O 1.238 0.486 0 CA-C-O 121.195 0.521 . . . . 0.0 110.418 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.7 m -56.08 -35.62 67.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.209 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -53.67 -45.03 70.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.307 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 -58.36 -48.13 81.58 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.777 0.323 . . . . 0.0 110.197 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.442 ' O ' ' OE2' ' A' ' 13' ' ' GLU . 79.1 tt0 -47.53 -34.42 7.59 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.194 0.521 . . . . 0.0 110.197 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 87.0 mtt-85 -79.31 -45.24 20.05 Favored 'General case' 0 C--O 1.217 -0.65 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.108 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.607 ' CE2' HD23 ' A' ' 15' ' ' LEU . 89.3 t80 -55.26 -44.85 75.97 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.146 -179.396 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.9 t -60.49 -52.84 56.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.737 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.532 ' N ' ' OE2' ' A' ' 13' ' ' GLU . 7.2 mp0 -67.0 -37.08 83.56 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.993 0.425 . . . . 0.0 111.057 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.541 ' O ' ' N ' ' A' ' 17' ' ' GLN . 71.0 tp60 -71.25 -74.01 0.16 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.284 -179.454 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.607 HD23 ' CE2' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -37.61 -48.33 1.02 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.077 0.465 . . . . 0.0 110.147 -178.588 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.594 ' HZ2' ' CD1' ' A' ' 31' ' ' LEU . 65.8 mttt -61.23 -40.57 94.51 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.708 178.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.541 ' N ' ' O ' ' A' ' 14' ' ' GLN . 13.1 mm-40 -64.45 -57.51 9.06 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.278 0.561 . . . . 0.0 109.492 179.527 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.708 ' O ' HG22 ' A' ' 21' ' ' THR . . . -54.22 -14.45 1.15 Allowed 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.811 179.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.735 HD22 HG21 ' A' ' 24' ' ' VAL . 3.2 mt -85.16 -50.26 7.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.425 178.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -43.57 -33.15 1.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.118 -179.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.708 HG22 ' O ' ' A' ' 18' ' ' ALA . 5.3 t -61.01 -35.12 76.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.598 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 19' ' ' LEU . 61.1 mtp85 -72.34 -10.01 59.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.58 -179.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 106.65 29.93 4.51 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.735 HG21 HD22 ' A' ' 19' ' ' LEU . 7.8 t -106.18 168.34 2.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 121.128 -0.229 . . . . 0.0 110.409 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.539 ' N ' HG12 ' A' ' 24' ' ' VAL . 88.8 tttt -115.68 138.01 51.52 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.381 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.773 ' O ' HG23 ' A' ' 26' ' ' VAL . 14.4 m -110.03 91.63 1.8 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-O 121.44 0.638 . . . . 0.0 110.834 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.534 ' HD2' ' HB3' ' A' ' 29' ' ' ALA . 45.2 pttt -109.74 165.27 11.82 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.057 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -63.94 -36.76 85.0 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.18 0.515 . . . . 0.0 110.239 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.534 ' HB3' ' HD2' ' A' ' 27' ' ' LYS . . . -59.36 -24.35 63.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.647 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -72.03 -40.58 68.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.698 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.594 ' CD1' ' HZ2' ' A' ' 16' ' ' LYS . 2.3 mp -61.54 -39.34 90.72 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.001 0.429 . . . . 0.0 110.308 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 49.1 mt -56.06 -46.17 79.02 Favored 'General case' 0 C--N 1.31 -1.136 0 C-N-CA 120.055 -0.658 . . . . 0.0 110.962 -178.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.466 ' O ' ' CB ' ' A' ' 37' ' ' PHE . 88.2 tttt -80.55 -53.36 6.63 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -178.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.605 ' CZ ' ' CE1' ' A' ' 82' ' ' TYR . 0.9 OUTLIER -60.92 -37.96 84.08 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -178.323 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.474 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 6.9 t80 -72.38 -51.2 21.55 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.981 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -72.89 -20.21 61.13 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.449 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.466 ' CB ' ' O ' ' A' ' 33' ' ' LYS . 1.7 t80 -63.45 -61.32 2.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.044 -178.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.514 ' O ' ' N ' ' A' ' 42' ' ' CYS . 1.0 OUTLIER -68.15 -32.37 55.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.935 179.734 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -58.29 -36.48 73.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.616 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -41.58 -61.12 1.13 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.704 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.453 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 12.9 p -105.0 -6.77 19.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.752 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.514 ' N ' ' O ' ' A' ' 38' ' ' VAL . 19.5 p 38.9 57.61 5.71 Favored Pre-proline 0 C--N 1.332 -0.155 0 CA-C-O 121.072 0.463 . . . . 0.0 110.728 -179.307 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.527 ' C ' ' H ' ' A' ' 45' ' ' PHE . 65.3 Cg_endo -78.13 -17.14 13.62 Favored 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 122.559 2.173 . . . . 0.0 112.195 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.667 ' HE1' HG23 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -70.8 19.75 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.119 -179.503 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.527 ' H ' ' C ' ' A' ' 43' ' ' PRO . 2.9 m-85 54.28 85.05 0.2 Allowed Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.174 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -70.71 -8.73 24.28 Favored 'Trans proline' 0 C--N 1.31 -1.49 0 C-N-CA 122.746 2.297 . . . . 0.0 112.153 -178.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -81.21 -57.25 3.59 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.486 -0.486 . . . . 0.0 110.678 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -92.52 -24.45 18.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.814 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 64.91 71.06 0.93 Allowed Glycine 0 CA--C 1.527 0.784 0 N-CA-C 110.259 -1.137 . . . . 0.0 110.259 -178.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.5 t -131.61 169.95 15.42 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 120.804 0.335 . . . . 0.0 111.023 -179.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.667 HG23 ' HE1' ' A' ' 44' ' ' TRP . 1.1 mt -103.5 143.25 15.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.138 -179.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -137.79 121.0 16.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.097 0.475 . . . . 0.0 110.132 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 29.7 mm -70.89 -41.41 77.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.833 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -66.56 -51.86 51.94 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.081 -179.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 36.8 ttm-85 -62.07 -41.78 98.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.228 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 23.8 t-105 -52.63 -37.99 59.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.593 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -64.35 -41.89 96.52 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.327 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.474 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 94.0 mtt-85 -58.74 -53.44 58.34 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.987 -179.37 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.1 p -64.09 -38.26 81.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.408 179.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -61.87 -48.25 84.99 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -69.38 -36.99 77.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.888 0.375 . . . . 0.0 110.783 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.474 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 90.4 m -63.39 -36.23 83.02 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.686 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -83.16 -41.98 17.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.965 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -63.37 -39.55 94.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.386 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.751 ' O ' HG23 ' A' ' 69' ' ' THR . 17.3 t0 -66.54 -52.1 49.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.765 179.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.457 ' O ' ' OG1' ' A' ' 69' ' ' THR . 64.6 t80 -62.48 -42.1 99.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.595 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -68.73 -39.38 80.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.818 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.474 ' O ' ' N ' ' A' ' 71' ' ' GLY . 29.6 t30 -62.04 -40.68 96.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.196 -179.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.751 HG23 ' O ' ' A' ' 65' ' ' ASP . 73.5 p -48.67 -20.5 0.47 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.821 -179.433 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -90.47 15.06 11.44 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.785 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 40.18 58.98 2.27 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.728 -0.949 . . . . 0.0 110.728 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.582 ' O ' HG23 ' A' ' 75' ' ' VAL . 56.7 Cg_endo -78.85 125.74 6.84 Favored 'Trans proline' 0 C--N 1.309 -1.545 0 C-N-CA 122.856 2.371 . . . . 0.0 112.287 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -85.94 -25.35 26.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.554 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.492 ' O ' ' C ' ' A' ' 75' ' ' VAL . 53.2 mmtt -67.04 -47.35 71.64 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.953 -179.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 72' ' ' PRO . 98.5 t 26.89 82.73 0.18 Allowed Pre-proline 0 N--CA 1.463 0.179 0 O-C-N 123.889 0.743 . . . . 0.0 110.915 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -57.16 126.84 23.42 Favored 'Trans proline' 0 C--N 1.308 -1.596 0 C-N-CA 122.527 2.152 . . . . 0.0 111.494 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 43.9 t -81.63 -19.5 11.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.887 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.411 HG23 ' H ' ' A' ' 78' ' ' THR . 30.5 p -45.3 -31.41 1.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.179 -179.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.76 -29.94 65.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.125 0.488 . . . . 0.0 110.712 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -73.44 -36.92 65.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.962 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.7 m -65.2 -39.74 93.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.488 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.612 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 6.5 m-85 -61.22 -50.89 71.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.59 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 33.7 t90 -56.27 -39.3 72.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.986 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -61.99 -54.89 35.3 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.229 -179.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 57.7 tp -63.56 -47.98 79.32 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.99 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -60.37 -40.4 83.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.517 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 49.2 tttt -52.93 -47.52 67.97 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.669 -178.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.12 -17.73 39.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.649 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 37.1 tp -60.23 -41.68 93.62 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.707 -176.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 37.1 mt -62.26 -42.49 95.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.408 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -57.75 -17.34 14.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.553 -179.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 71.9 tttt . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.423 179.863 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' A' ' 5' ' ' LEU . 51.0 tp . . . . . 0 C--O 1.24 0.591 0 CA-C-O 121.057 0.456 . . . . 0.0 110.378 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.4 p -57.72 -32.01 66.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.207 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -54.53 -41.72 70.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.093 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -63.45 -47.2 82.81 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.306 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -45.58 -34.13 3.19 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.547 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -76.53 -46.61 25.78 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.189 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.41 ' CE1' HD23 ' A' ' 15' ' ' LEU . 66.5 t80 -50.9 -45.14 60.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.482 -179.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.506 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 15.5 t -63.25 -46.65 95.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.827 0.346 . . . . 0.0 110.845 179.399 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -66.73 -39.58 88.04 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.696 -0.401 . . . . 0.0 110.364 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.522 ' O ' ' N ' ' A' ' 17' ' ' GLN . 72.0 tp60 -74.06 -73.28 0.23 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.391 -178.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.524 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -37.37 -51.37 1.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.662 -178.826 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.506 ' CG ' ' O ' ' A' ' 12' ' ' VAL . 5.2 mmpp? -60.33 -37.7 81.45 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.603 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.522 ' N ' ' O ' ' A' ' 14' ' ' GLN . 46.7 mt-30 -68.62 -57.09 6.24 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.33 179.304 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.69 -16.83 1.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.345 179.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.477 HD11 ' CZ ' ' A' ' 82' ' ' TYR . 10.3 mt -84.22 -51.73 6.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.1 178.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -46.1 -42.14 13.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.508 -179.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.429 ' C ' ' H ' ' A' ' 23' ' ' GLY . 1.7 t -66.19 -30.22 70.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.748 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.4 mmm-85 -75.63 15.81 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.429 ' H ' ' C ' ' A' ' 21' ' ' THR . . . 80.5 25.25 57.2 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.655 HG12 ' N ' ' A' ' 25' ' ' LYS . 26.3 t -106.31 169.93 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.719 0.295 . . . . 0.0 110.777 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.655 ' N ' HG12 ' A' ' 24' ' ' VAL . 99.1 mttt -132.22 137.1 47.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.302 179.199 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.8 t -123.06 98.73 5.88 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.927 -179.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.509 ' HG2' ' H ' ' A' ' 28' ' ' TYR . 10.3 ttmt -91.33 164.46 13.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.227 178.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.704 ' CE1' HD11 ' A' ' 32' ' ' LEU . 92.5 t80 -50.6 -45.55 57.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.722 0.296 . . . . 0.0 110.663 179.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.32 -21.52 66.31 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.556 178.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -66.85 -45.11 79.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.76 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.551 ' O ' ' HB2' ' A' ' 35' ' ' PHE . 5.5 mp -64.39 -40.83 96.58 Favored 'General case' 0 C--O 1.208 -1.083 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.974 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.704 HD11 ' CE1' ' A' ' 28' ' ' TYR . 55.3 mt -57.71 -44.52 85.99 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.768 -179.067 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -74.25 -51.83 14.15 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.03 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.465 ' CE2' ' CE1' ' A' ' 82' ' ' TYR . 44.6 t80 -62.7 -37.59 87.1 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.337 -178.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.551 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 2.8 t80 -71.6 -46.32 59.55 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.88 179.332 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -71.78 -21.24 61.75 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.107 0.48 . . . . 0.0 110.385 -179.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.67 -59.65 3.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.091 -179.317 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.542 ' O ' ' N ' ' A' ' 42' ' ' CYS . 2.9 m -69.81 -38.5 76.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.032 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -57.52 -31.44 66.06 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.439 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -44.74 -60.82 1.83 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.682 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 42' ' ' CYS . 19.5 p -112.15 -1.96 15.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.749 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.542 ' N ' ' O ' ' A' ' 38' ' ' VAL . 23.1 t 36.68 65.64 2.21 Favored Pre-proline 0 C--O 1.221 -0.422 0 CA-C-O 121.234 0.54 . . . . 0.0 110.669 -179.221 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.537 ' C ' ' H ' ' A' ' 45' ' ' PHE . 11.9 Cg_exo -68.44 -19.86 42.57 Favored 'Trans proline' 0 C--N 1.297 -2.183 0 C-N-CA 123.118 2.545 . . . . 0.0 112.141 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.508 ' NE1' HG23 ' A' ' 51' ' ' ILE . 1.2 m-90 -70.68 22.81 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.77 -179.652 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.545 ' CE2' ' NE ' ' A' ' 55' ' ' ARG . 6.1 m-85 55.43 96.43 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.288 179.652 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -67.75 -7.84 20.67 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 123.003 2.469 . . . . 0.0 112.089 -178.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -85.74 -58.48 2.64 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.049 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -93.4 -22.22 19.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.948 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 59.48 75.8 0.25 Allowed Glycine 0 CA--C 1.527 0.786 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 -178.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.413 ' O ' ' CD1' ' A' ' 44' ' ' TRP . 12.4 t -139.77 169.09 18.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.814 0.34 . . . . 0.0 110.791 -179.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.508 HG23 ' NE1' ' A' ' 44' ' ' TRP . 1.4 mt -90.88 141.12 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.064 179.438 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -135.88 123.07 21.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.258 0.551 . . . . 0.0 110.614 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 40.3 mm -71.55 -39.92 70.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.919 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -66.51 -53.65 32.6 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.304 -178.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.545 ' NE ' ' CE2' ' A' ' 45' ' ' PHE . 93.4 mtt-85 -63.12 -34.79 78.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.701 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 35.5 t-105 -55.08 -38.87 68.64 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.2 0.524 . . . . 0.0 110.443 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -66.95 -38.98 87.13 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.312 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.468 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 23.7 mmt180 -59.81 -51.83 68.07 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -179.686 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.43 HG13 ' N ' ' A' ' 60' ' ' GLY . 3.2 p -64.14 -42.45 95.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.475 179.264 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.43 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -60.38 -43.92 98.14 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -71.73 -35.99 70.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.71 0.29 . . . . 0.0 110.422 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.468 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 89.0 m -64.56 -39.4 93.68 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.721 -179.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -78.94 -43.19 25.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.042 179.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.814 HE21 HD21 ' A' ' 68' ' ' ASN . 50.3 tp60 -64.22 -37.92 89.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.335 -179.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.558 ' O ' HG23 ' A' ' 69' ' ' THR . 49.0 t0 -64.38 -52.6 57.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.712 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.458 ' O ' ' OG1' ' A' ' 69' ' ' THR . 6.3 m-85 -65.55 -39.03 91.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.724 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.417 ' CD2' ' HG3' ' A' ' 72' ' ' PRO . 66.9 t80 -65.96 -39.4 90.39 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.655 -179.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.814 HD21 HE21 ' A' ' 64' ' ' GLN . 1.6 m120 -62.29 -42.07 99.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.086 -178.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.558 HG23 ' O ' ' A' ' 65' ' ' ASP . 81.2 p -48.4 -26.79 2.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.342 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -82.95 14.47 3.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.76 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 38.0 59.31 1.45 Allowed Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.427 ' O ' HG23 ' A' ' 75' ' ' VAL . 56.2 Cg_endo -78.02 130.12 10.15 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.851 2.367 . . . . 0.0 112.178 -179.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -88.53 -27.03 21.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.632 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.519 ' HD2' ' H ' ' A' ' 74' ' ' LYS . 9.8 mptt -67.31 -47.36 70.81 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 -178.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.518 ' C ' ' O ' ' A' ' 74' ' ' LYS . 94.8 t 27.16 78.7 0.24 Allowed Pre-proline 0 C--O 1.233 0.186 0 O-C-N 123.725 0.641 . . . . 0.0 110.812 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -55.66 125.75 20.14 Favored 'Trans proline' 0 C--N 1.308 -1.57 0 C-N-CA 122.534 2.156 . . . . 0.0 111.667 -179.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 92.6 t -81.99 -19.67 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.026 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 70.7 p -44.85 -26.36 0.4 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.407 -179.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.2 -24.0 51.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.683 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.411 ' CE1' ' ND2' ' A' ' 84' ' ' ASN . 40.1 t80 -67.05 -38.16 85.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 179.608 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 44.6 m -61.97 -39.69 93.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.843 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.477 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 30.4 m-85 -60.75 -48.57 81.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.743 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.42 ' CE3' ' OD1' ' A' ' 84' ' ' ASN . 37.2 t90 -56.17 -50.14 72.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.896 -179.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.42 ' OD1' ' CE3' ' A' ' 83' ' ' TRP . 89.1 m-20 -65.77 -40.69 92.29 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.347 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 63.4 tp -66.62 -64.78 0.78 Allowed 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.238 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -51.86 -34.71 17.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.1 0.476 . . . . 0.0 110.3 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 42.1 tttt -57.12 -43.55 82.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.671 -178.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.434 ' OE2' ' O ' ' A' ' 88' ' ' GLU . 0.5 OUTLIER -82.87 -20.02 36.34 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.657 -179.574 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.616 HD13 ' O ' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -60.56 -45.62 93.23 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.189 -177.53 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 7.3 mt -62.24 -43.51 98.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.135 -179.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -55.65 -38.23 69.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.457 -179.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.587 179.784 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 5' ' ' LEU . 35.1 tp . . . . . 0 C--O 1.242 0.672 0 CA-C-O 121.322 0.582 . . . . 0.0 110.52 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.2 m -52.17 -33.63 41.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.101 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 67.6 tp60 -53.38 -43.09 67.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.268 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -61.02 -48.76 80.28 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.259 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -49.46 -31.52 10.07 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-O 121.532 0.682 . . . . 0.0 110.626 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 76.3 mmt-85 -82.5 -48.78 10.65 Favored 'General case' 0 C--O 1.213 -0.845 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.024 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.701 ' CE2' HD23 ' A' ' 15' ' ' LEU . 92.6 t80 -52.87 -42.05 64.88 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.946 0.403 . . . . 0.0 110.168 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.1 t -62.09 -51.4 72.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 C-N-CA 120.621 -0.431 . . . . 0.0 110.825 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -67.8 -38.36 83.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.628 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.581 ' O ' ' N ' ' A' ' 17' ' ' GLN . 66.3 tp60 -71.27 -73.3 0.18 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.637 -179.442 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.701 HD23 ' CE2' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -37.29 -44.6 0.61 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.949 0.404 . . . . 0.0 110.159 -178.715 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.624 ' HZ2' ' CD1' ' A' ' 31' ' ' LEU . 75.4 mttt -62.12 -39.89 94.07 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.05 0.453 . . . . 0.0 110.942 178.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.581 ' N ' ' O ' ' A' ' 14' ' ' GLN . 61.5 mt-30 -64.39 -57.12 10.22 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.779 179.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.5 ' O ' ' CG2' ' A' ' 21' ' ' THR . . . -55.61 -15.49 2.99 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.419 0.628 . . . . 0.0 110.289 179.141 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 22' ' ' ARG . 8.8 mt -87.88 -53.11 4.92 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.307 178.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -41.19 -38.78 1.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.834 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.5 ' CG2' ' O ' ' A' ' 18' ' ' ALA . 0.6 OUTLIER -60.91 -34.84 75.29 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.74 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 19' ' ' LEU . 15.0 mmm180 -69.39 -9.51 53.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.728 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.09 29.52 4.54 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.464 HG12 ' H ' ' A' ' 25' ' ' LYS . 3.1 t -106.98 167.05 3.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.532 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.464 ' H ' HG12 ' A' ' 24' ' ' VAL . 49.3 mtmt -110.56 147.55 33.96 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.346 179.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.788 ' O ' HG23 ' A' ' 26' ' ' VAL . 16.4 m -129.02 85.88 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 121.392 0.615 . . . . 0.0 110.683 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.535 ' HD3' ' H ' ' A' ' 29' ' ' ALA . 11.0 tmtt? -109.84 165.41 11.72 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.945 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -53.97 -41.76 68.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 110.605 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.535 ' H ' ' HD3' ' A' ' 27' ' ' LYS . . . -57.26 -22.55 42.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.102 0.477 . . . . 0.0 110.598 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -71.33 -40.79 70.51 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.615 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.624 ' CD1' ' HZ2' ' A' ' 16' ' ' LYS . 4.2 mp -64.73 -42.54 95.15 Favored 'General case' 0 C--O 1.211 -0.926 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.199 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.5 mt -58.14 -50.25 74.14 Favored 'General case' 0 C--N 1.317 -0.848 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.007 -178.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -74.15 -52.85 11.24 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.181 -178.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -61.01 -41.68 96.99 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.08 -177.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.498 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 6.4 t80 -72.96 -43.38 62.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.898 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.462 ' OD1' ' O ' ' A' ' 36' ' ' ASP . 65.7 t0 -68.79 -34.82 76.18 Favored 'General case' 0 N--CA 1.458 -0.066 0 CA-C-O 121.039 0.447 . . . . 0.0 110.65 -179.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -57.07 -50.65 72.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.004 -178.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.54 ' O ' ' N ' ' A' ' 42' ' ' CYS . 14.3 m -71.31 -41.5 74.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.975 179.557 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.405 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 86.7 tttt -60.41 -25.59 66.05 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.418 -179.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -55.51 -55.76 28.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.043 -178.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.3 p -113.05 -3.2 14.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.845 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.54 ' N ' ' O ' ' A' ' 38' ' ' VAL . 3.0 m 39.48 60.97 5.93 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.602 -179.124 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.431 ' HD3' ' N ' ' A' ' 42' ' ' CYS . 58.8 Cg_endo -80.77 -12.69 12.13 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.901 2.401 . . . . 0.0 112.505 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.593 ' HE1' HG23 ' A' ' 51' ' ' ILE . 0.3 OUTLIER -77.76 21.98 0.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.831 -179.199 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.463 ' CE2' ' NE ' ' A' ' 55' ' ' ARG . 4.8 m-85 54.16 82.24 0.25 Allowed Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.391 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -69.65 -5.56 16.42 Favored 'Trans proline' 0 C--N 1.31 -1.492 0 C-N-CA 122.836 2.358 . . . . 0.0 112.131 -178.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -83.18 -57.13 3.4 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.544 -179.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.425 ' HG2' ' H ' ' A' ' 48' ' ' GLU . 7.8 pt-20 -91.85 -23.4 19.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.764 178.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.89 73.48 0.61 Allowed Glycine 0 CA--C 1.528 0.846 0 N-CA-C 110.656 -0.977 . . . . 0.0 110.656 -178.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.9 t -141.93 169.29 17.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.783 0.325 . . . . 0.0 110.768 -179.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.593 HG23 ' HE1' ' A' ' 44' ' ' TRP . 1.2 mt -90.43 143.85 10.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.101 179.557 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -140.16 120.36 13.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.286 0.565 . . . . 0.0 110.252 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.0 mm -72.6 -40.69 62.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.085 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -63.01 -56.66 15.07 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.22 -178.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.463 ' NE ' ' CE2' ' A' ' 45' ' ' PHE . 94.9 mtt-85 -62.92 -34.51 77.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.727 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 25.4 t-105 -57.1 -36.05 70.15 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 121.103 0.478 . . . . 0.0 110.538 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 76.6 ttt-85 -68.02 -41.17 82.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.333 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.506 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 84.2 mtt85 -58.48 -50.8 72.42 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.353 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.4 ' H ' HG12 ' A' ' 59' ' ' VAL . 3.2 p -64.19 -37.04 78.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.606 179.393 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -63.31 -45.71 94.5 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -71.12 -40.32 71.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.886 0.374 . . . . 0.0 110.631 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.506 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 89.1 m -60.52 -37.16 80.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.717 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -83.88 -38.85 20.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.973 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -63.37 -42.09 98.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.771 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.754 ' O ' HG23 ' A' ' 69' ' ' THR . 0.6 OUTLIER -69.5 -44.53 70.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.672 -179.667 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.461 ' N ' ' CG ' ' A' ' 65' ' ' ASP . 59.2 t80 -66.72 -43.72 83.5 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.668 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.404 ' CE2' ' CG ' ' A' ' 72' ' ' PRO . 62.6 t80 -67.1 -38.5 85.76 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.63 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.484 ' O ' ' N ' ' A' ' 71' ' ' GLY . 88.1 m-20 -61.57 -41.17 97.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.048 -178.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.754 HG23 ' O ' ' A' ' 65' ' ' ASP . 82.4 p -48.02 -24.22 1.02 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.813 -179.365 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -86.06 14.98 5.46 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.745 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 39.32 59.07 1.92 Allowed Glycine 0 CA--C 1.527 0.815 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.039 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.472 ' O ' HG23 ' A' ' 75' ' ' VAL . 58.1 Cg_endo -79.22 129.7 8.84 Favored 'Trans proline' 0 C--N 1.307 -1.649 0 C-N-CA 122.806 2.337 . . . . 0.0 112.336 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -88.57 -29.5 19.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.929 0.395 . . . . 0.0 110.48 179.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.509 ' O ' ' C ' ' A' ' 75' ' ' VAL . 48.8 mmtt -64.61 -46.49 82.4 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.856 -178.332 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.509 ' C ' ' O ' ' A' ' 74' ' ' LYS . 89.4 t 26.02 83.84 0.15 Allowed Pre-proline 0 CA--C 1.529 0.14 0 O-C-N 123.968 0.793 . . . . 0.0 110.779 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -55.5 125.57 19.58 Favored 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 122.372 2.048 . . . . 0.0 111.605 -179.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 93.0 t -82.71 -18.07 10.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.89 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 25.5 p -49.28 -25.43 2.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.194 -179.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.8 -27.01 48.99 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.009 0.433 . . . . 0.0 110.687 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.487 ' CE1' ' OD1' ' A' ' 84' ' ' ASN . 51.0 t80 -71.3 -34.09 70.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.99 179.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.0 t -68.62 -42.61 77.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.771 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.464 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 5.3 m-85 -57.98 -53.77 54.5 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.701 -179.286 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 42.0 t90 -58.3 -39.58 79.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.072 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.487 ' OD1' ' CE1' ' A' ' 80' ' ' PHE . 7.2 m120 -64.43 -46.85 81.4 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.32 -179.085 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 63.8 tp -68.75 -50.38 51.01 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.727 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -60.98 -38.36 79.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.291 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 64.7 tttt -54.52 -47.72 72.79 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.554 -178.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.44 -18.17 36.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.115 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 33.9 tp -60.13 -40.64 90.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.402 -176.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 41.5 mt -61.22 -42.42 93.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.459 -179.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -54.47 -40.3 68.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.342 -178.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 96.9 mttt . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.749 179.401 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.738 HD13 ' N ' ' A' ' 6' ' ' SER . 1.9 tm? . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.709 -0.108 . . . . 0.0 110.709 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.738 ' N ' HD13 ' A' ' 5' ' ' LEU . 71.0 m -44.99 -39.14 5.29 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 120.159 -0.616 . . . . 0.0 110.444 -177.406 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.457 ' O ' ' CB ' ' A' ' 11' ' ' TYR . 31.5 tt0 -48.29 -60.88 2.31 Favored 'General case' 0 C--O 1.214 -0.788 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.836 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -54.26 -43.01 70.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.891 0.377 . . . . 0.0 111.223 -179.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -60.06 -63.35 1.33 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.431 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.475 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 80.2 mtp180 -66.23 -43.37 86.79 Favored 'General case' 0 C--O 1.206 -1.185 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.71 -179.305 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.457 ' CB ' ' O ' ' A' ' 7' ' ' GLN . 48.0 t80 -55.38 -56.35 21.1 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.216 0.531 . . . . 0.0 110.726 -179.21 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.75 -51.97 66.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 C-N-CA 120.074 -0.65 . . . . 0.0 111.928 -179.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -69.51 -48.25 61.15 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -178.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.518 ' O ' ' N ' ' A' ' 17' ' ' GLN . 65.1 tp60 -68.59 -72.39 0.18 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.255 -178.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.436 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -38.04 -49.91 1.32 Allowed 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.877 -177.858 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -63.87 -39.09 93.38 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.019 -0.673 . . . . 0.0 111.285 178.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.518 ' N ' ' O ' ' A' ' 14' ' ' GLN . 46.1 mt-30 -66.53 -59.34 3.72 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-O 121.211 0.529 . . . . 0.0 110.287 179.68 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.513 ' O ' ' CG2' ' A' ' 21' ' ' THR . . . -44.11 -21.74 0.05 OUTLIER 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.809 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.533 HD11 ' CE1' ' A' ' 82' ' ' TYR . 7.3 mt -85.76 -45.12 11.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.468 177.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 17' ' ' GLN . 96.6 mttt -39.7 -41.94 1.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.816 -179.015 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.513 ' CG2' ' O ' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -59.11 -35.45 73.47 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.673 179.827 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 19' ' ' LEU . 43.0 mmt-85 -71.1 -6.95 43.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.341 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.13 32.35 6.47 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.9 t -105.37 161.13 5.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -118.52 162.95 17.51 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.377 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.729 ' O ' HG23 ' A' ' 26' ' ' VAL . 10.3 m -124.38 106.02 16.18 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-O 121.36 0.6 . . . . 0.0 110.895 -179.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.489 ' HD2' ' HB3' ' A' ' 29' ' ' ALA . 41.2 pttt -110.31 168.01 9.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.563 0.697 . . . . 0.0 111.148 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -58.97 -39.89 83.11 Favored 'General case' 0 C--N 1.32 -0.714 0 O-C-N 121.692 -0.63 . . . . 0.0 109.967 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.489 ' HB3' ' HD2' ' A' ' 27' ' ' LYS . . . -64.53 -22.35 66.94 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.308 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.413 ' HB2' ' O ' ' A' ' 27' ' ' LYS . 57.8 m-20 -71.05 -41.48 70.7 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.566 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.462 ' O ' ' CB ' ' A' ' 35' ' ' PHE . 6.4 mp -64.2 -43.17 95.84 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.45 179.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.422 ' H ' ' HG ' ' A' ' 32' ' ' LEU . 40.8 mt -55.85 -50.35 70.82 Favored 'General case' 0 C--N 1.314 -0.964 0 C-N-CA 119.404 -0.918 . . . . 0.0 111.04 -178.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -74.31 -53.18 10.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.544 -178.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.453 ' O ' HG22 ' A' ' 38' ' ' VAL . 10.0 t80 -60.27 -40.39 90.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.992 0.425 . . . . 0.0 112.132 -178.207 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.462 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 5.9 t80 -70.0 -46.08 65.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.296 178.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -70.73 -21.29 62.56 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.795 -179.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -66.18 -59.68 3.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.815 -179.532 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.537 ' O ' ' N ' ' A' ' 42' ' ' CYS . 0.2 OUTLIER -68.23 -40.5 82.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.799 179.726 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -53.97 -33.94 58.34 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.761 -179.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -42.55 -64.07 0.67 Allowed 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.017 -179.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 61.1 p -116.04 3.22 13.57 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.168 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.537 ' N ' ' O ' ' A' ' 38' ' ' VAL . 15.9 m 38.78 63.35 4.21 Favored Pre-proline 0 C--O 1.223 -0.33 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.388 -178.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.558 ' C ' ' H ' ' A' ' 45' ' ' PHE . 22.0 Cg_exo -65.86 -20.38 58.36 Favored 'Trans proline' 0 C--N 1.307 -1.62 0 C-N-CA 122.808 2.339 . . . . 0.0 112.199 -179.327 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.449 ' O ' ' O ' ' A' ' 50' ' ' THR . 1.2 m-90 -70.3 26.55 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.309 0.576 . . . . 0.0 110.929 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.558 ' H ' ' C ' ' A' ' 43' ' ' PRO . 0.1 OUTLIER 63.1 98.44 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.053 -179.819 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -72.8 -5.84 17.92 Favored 'Trans proline' 0 C--N 1.311 -1.425 0 C-N-CA 122.317 2.011 . . . . 0.0 112.352 -178.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -83.68 -59.64 2.37 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.092 -0.643 . . . . 0.0 110.865 -179.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 54.3 tp10 -94.27 -36.67 11.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.123 178.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.12 65.7 1.27 Allowed Glycine 0 CA--C 1.529 0.918 0 N-CA-C 110.511 -1.036 . . . . 0.0 110.511 -177.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.449 ' O ' ' O ' ' A' ' 44' ' ' TRP . 10.2 t -138.87 169.7 17.32 Favored 'General case' 0 CA--C 1.523 -0.072 0 CA-C-O 120.963 0.411 . . . . 0.0 110.679 -179.53 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.437 ' CD1' HD23 ' A' ' 89' ' ' LEU . 1.4 mt -80.68 143.42 12.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.172 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -137.2 123.59 20.72 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.908 0.385 . . . . 0.0 110.508 179.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 37.5 mm -69.94 -41.61 79.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.62 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.461 ' CD ' HH11 ' A' ' 57' ' ' ARG . 70.8 mmtt -61.31 -56.14 23.8 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-O 121.441 0.639 . . . . 0.0 111.166 -179.095 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -64.01 -33.49 75.85 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.467 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 38.3 t-105 -56.93 -38.7 73.27 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 121.144 0.497 . . . . 0.0 110.519 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.461 HH11 ' CD ' ' A' ' 54' ' ' LYS . 88.6 mtm180 -66.18 -40.01 90.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.129 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.516 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 94.3 mtt180 -60.68 -51.72 68.18 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.351 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.437 HG13 ' N ' ' A' ' 60' ' ' GLY . 3.7 p -64.0 -41.9 93.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.466 179.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.437 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -61.86 -47.12 92.24 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 -179.643 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -71.12 -37.67 72.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.753 0.311 . . . . 0.0 110.716 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.516 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 91.3 m -66.12 -39.31 89.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.129 -179.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -82.73 -42.2 18.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.85 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -62.58 -44.44 96.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.687 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.779 ' O ' HG23 ' A' ' 69' ' ' THR . 13.6 t70 -63.58 -53.5 50.71 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.747 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.473 ' CD2' ' C ' ' A' ' 66' ' ' TYR . 16.7 t80 -61.35 -45.52 94.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.902 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.53 ' O ' ' N ' ' A' ' 71' ' ' GLY . 54.6 t80 -62.48 -45.63 92.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.761 -179.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 -64.21 -41.08 97.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.752 -179.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.779 HG23 ' O ' ' A' ' 65' ' ' ASP . 67.9 p -64.82 -31.76 73.14 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.363 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -111.15 12.86 21.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.563 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.53 ' N ' ' O ' ' A' ' 67' ' ' TYR . . . -128.22 -161.46 10.72 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 -179.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -79.31 159.21 26.21 Favored 'Trans proline' 0 C--N 1.309 -1.517 0 C-N-CA 123.192 2.595 . . . . 0.0 112.201 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -71.54 -32.73 68.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.126 0.489 . . . . 0.0 110.774 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 75' ' ' VAL . 48.8 mmtt -62.5 -44.54 96.13 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.698 -178.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.414 ' O ' ' O ' ' A' ' 74' ' ' LYS . 20.3 t 60.29 131.82 0.02 OUTLIER Pre-proline 0 C--N 1.318 -0.765 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.115 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -50.97 126.76 19.59 Favored 'Trans proline' 0 N--CA 1.491 1.358 0 C-N-CA 121.896 1.73 . . . . 0.0 111.889 179.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 45.0 t -82.95 -24.08 8.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.576 179.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.421 ' H ' HG23 ' A' ' 78' ' ' THR . 19.3 p -47.71 -27.51 1.99 Allowed 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.088 -179.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.18 -23.38 65.54 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.256 0.55 . . . . 0.0 111.232 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -66.46 -37.73 85.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.696 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 78.3 p -66.77 -34.24 77.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.615 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.533 ' CE1' HD11 ' A' ' 19' ' ' LEU . 19.0 m-85 -59.6 -49.85 76.16 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.678 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.416 ' O ' ' CB ' ' A' ' 87' ' ' LYS . 45.0 t90 -59.24 -47.58 84.83 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.901 -179.525 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -62.49 -41.13 98.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.308 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.408 HD21 ' CB ' ' A' ' 18' ' ' ALA . 52.5 tp -69.38 -61.96 1.58 Allowed 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 120.734 -0.387 . . . . 0.0 110.911 -179.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -54.87 -34.42 30.79 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 CA-C-O 121.161 0.505 . . . . 0.0 110.195 -179.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.416 ' CB ' ' O ' ' A' ' 83' ' ' TRP . 68.5 tttt -56.77 -47.87 79.14 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.849 -179.3 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.94 -18.03 33.79 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 121.023 0.44 . . . . 0.0 111.759 179.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.437 HD23 ' CD1' ' A' ' 51' ' ' ILE . 32.5 tp -58.26 -42.16 85.86 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.84 -175.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 26.2 mt -63.46 -43.43 98.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.255 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -52.97 -15.19 0.71 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -178.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 71.4 tttt . . . . . 0 C--N 1.325 -0.462 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.444 179.643 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 58.3 tp . . . . . 0 C--O 1.242 0.664 0 CA-C-O 121.182 0.515 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.5 p -54.98 -35.34 64.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.084 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -56.35 -39.34 72.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.265 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 63.7 t-80 -57.89 -49.35 77.03 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -49.8 -33.13 15.66 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.303 -0.559 . . . . 0.0 109.878 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -75.98 -49.22 18.29 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.248 178.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.674 ' CE1' HD23 ' A' ' 15' ' ' LEU . 87.8 t80 -52.11 -40.72 61.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.85 0.357 . . . . 0.0 110.26 -179.254 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.4 t -61.29 -51.49 72.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 120.331 -0.548 . . . . 0.0 110.845 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -67.74 -39.94 84.2 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.073 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.523 ' O ' ' N ' ' A' ' 17' ' ' GLN . 65.5 tp60 -69.51 -71.59 0.22 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.335 -179.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.674 HD23 ' CE1' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -38.51 -47.83 1.33 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.452 -179.12 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.715 ' HZ1' ' HG ' ' A' ' 31' ' ' LEU . 74.4 mttt -60.71 -41.71 95.76 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.596 178.67 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.523 ' N ' ' O ' ' A' ' 14' ' ' GLN . 63.0 mt-30 -62.38 -57.75 10.16 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 120.527 -0.469 . . . . 0.0 109.865 179.059 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.471 ' O ' HG23 ' A' ' 21' ' ' THR . . . -53.18 -16.49 1.23 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 121.071 0.462 . . . . 0.0 109.854 179.108 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.582 HD22 HG21 ' A' ' 24' ' ' VAL . 3.2 mt -87.86 -50.66 6.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.55 178.273 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -41.51 -41.42 2.1 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.499 -178.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.471 HG23 ' O ' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -61.0 -33.0 72.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.581 179.714 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 19' ' ' LEU . 73.1 mmt-85 -67.36 -6.78 20.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.462 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.97 22.63 8.22 Favored Glycine 0 N--CA 1.467 0.758 0 N-CA-C 111.274 -0.731 . . . . 0.0 111.274 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.622 HG12 ' N ' ' A' ' 25' ' ' LYS . 16.8 t -105.74 170.14 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.629 0.252 . . . . 0.0 110.687 -179.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.622 ' N ' HG12 ' A' ' 24' ' ' VAL . 98.5 mttt -112.63 150.9 30.77 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.61 179.451 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.779 ' O ' HG23 ' A' ' 26' ' ' VAL . 15.4 m -127.95 88.12 1.18 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-O 121.196 0.522 . . . . 0.0 110.561 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.454 ' HG2' ' H ' ' A' ' 28' ' ' TYR . 17.0 ttmt -109.76 163.64 13.31 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.464 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.454 ' H ' ' HG2' ' A' ' 27' ' ' LYS . 97.2 m-85 -57.73 -36.09 71.59 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.029 0.442 . . . . 0.0 110.235 179.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.19 -23.17 62.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.749 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.417 ' CB ' ' HZ3' ' A' ' 16' ' ' LYS . 86.3 m-20 -71.01 -44.11 66.57 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.766 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.715 ' HG ' ' HZ1' ' A' ' 16' ' ' LYS . 4.6 mp -60.77 -41.3 95.24 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-O 120.935 0.398 . . . . 0.0 110.3 -179.31 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.1 mt -52.81 -53.87 42.29 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 119.705 -0.798 . . . . 0.0 111.123 -179.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 37' ' ' PHE . 89.0 tttt -71.84 -52.37 17.77 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -178.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.548 ' O ' HG22 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -61.71 -37.9 85.89 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -178.346 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.466 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 8.1 t80 -71.64 -48.15 49.75 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.14 179.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -77.19 -23.4 51.51 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.025 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.465 ' CB ' ' O ' ' A' ' 33' ' ' LYS . 14.9 t80 -62.66 -51.69 66.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.976 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.548 HG22 ' O ' ' A' ' 34' ' ' PHE . 6.8 m -74.37 -33.01 32.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.568 179.464 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.511 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 80.2 tttt -57.81 -29.96 65.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.663 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -46.01 -58.45 3.57 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.735 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 78.0 p -114.95 -4.42 12.58 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.871 0.367 . . . . 0.0 111.01 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.52 ' N ' ' O ' ' A' ' 38' ' ' VAL . 3.3 m 42.41 65.7 4.84 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.799 -178.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.585 ' C ' ' H ' ' A' ' 45' ' ' PHE . 26.4 Cg_exo -63.47 -29.12 71.11 Favored 'Trans proline' 0 N--CA 1.497 1.722 0 C-N-CA 122.771 2.314 . . . . 0.0 112.126 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.431 ' CD1' ' O ' ' A' ' 50' ' ' THR . 1.7 m-90 -66.94 24.63 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.029 -179.502 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.585 ' H ' ' C ' ' A' ' 43' ' ' PRO . 55.5 m-85 41.48 82.5 0.22 Allowed Pre-proline 0 N--CA 1.455 -0.207 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -54.52 -5.94 0.5 Allowed 'Trans proline' 0 N--CA 1.492 1.394 0 C-N-CA 122.109 1.873 . . . . 0.0 112.485 -178.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.416 ' H ' ' C ' ' A' ' 45' ' ' PHE . 93.0 mm-40 -83.07 -56.76 3.6 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.479 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -91.83 -23.66 19.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.57 178.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 61.36 77.26 0.2 Allowed Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.614 -0.995 . . . . 0.0 110.614 -179.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.431 ' O ' ' CD1' ' A' ' 44' ' ' TRP . 9.1 t -145.61 171.04 15.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.934 0.397 . . . . 0.0 111.066 -179.302 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.463 ' HB ' HD11 ' A' ' 90' ' ' ILE . 0.8 OUTLIER -98.71 140.76 17.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.81 179.386 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -133.88 122.72 23.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.896 0.379 . . . . 0.0 110.527 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.1 mm -69.71 -41.07 79.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.103 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -64.68 -51.94 59.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.047 0.451 . . . . 0.0 110.931 -179.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 31.2 ttt85 -67.99 -39.15 83.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.431 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 44.7 t-105 -56.36 -35.8 68.09 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.244 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 63.6 ttm-85 -67.75 -41.61 83.09 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.224 179.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.514 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 78.6 mtp85 -60.22 -50.2 74.6 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.389 -179.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.4 HG13 ' N ' ' A' ' 60' ' ' GLY . 3.8 p -64.1 -40.52 89.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.832 0.349 . . . . 0.0 110.228 179.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.4 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -64.61 -53.18 36.76 Favored Glycine 0 CA--C 1.529 0.947 0 C-N-CA 121.145 -0.55 . . . . 0.0 111.845 -179.538 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.566 ' OD1' ' N ' ' A' ' 62' ' ' CYS . 14.4 p30 -68.23 -26.31 65.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.838 0.352 . . . . 0.0 110.827 -179.566 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.566 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 8.1 m -65.04 -40.9 95.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.287 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -81.62 -35.85 29.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.947 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -65.42 -43.36 90.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.551 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.476 ' O ' HG23 ' A' ' 69' ' ' THR . 34.0 t0 -63.34 -50.65 69.16 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.474 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.406 ' O ' ' OG1' ' A' ' 69' ' ' THR . 63.8 t80 -64.33 -41.06 96.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.713 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -67.29 -36.36 81.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 71' ' ' GLY . 1.2 m120 -62.91 -39.87 95.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.257 -179.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 65' ' ' ASP . 68.1 p -50.05 -20.05 0.87 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.771 -179.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -89.58 14.4 11.64 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.523 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 40.38 58.69 2.41 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 -179.371 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.437 ' O ' HG23 ' A' ' 75' ' ' VAL . 59.0 Cg_endo -78.23 132.33 11.34 Favored 'Trans proline' 0 C--N 1.309 -1.505 0 C-N-CA 122.855 2.37 . . . . 0.0 112.491 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -87.0 -37.75 17.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.278 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.478 ' O ' ' C ' ' A' ' 75' ' ' VAL . 12.5 mptt -60.54 -45.8 92.53 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.325 -178.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.495 HG12 ' O ' ' A' ' 75' ' ' VAL . 60.6 t 29.37 82.82 0.2 Allowed Pre-proline 0 N--CA 1.466 0.337 0 O-C-N 123.543 0.527 . . . . 0.0 111.011 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -54.07 125.85 20.14 Favored 'Trans proline' 0 C--N 1.311 -1.432 0 C-N-CA 121.681 1.587 . . . . 0.0 111.604 -179.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.5 t -82.78 -16.98 11.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.419 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 70.2 p -46.83 -30.86 2.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.987 0.422 . . . . 0.0 110.019 -179.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.97 -30.23 65.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.835 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -71.28 -37.15 71.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.064 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 78.1 p -66.02 -42.29 89.84 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.54 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 13.5 m-85 -61.16 -45.83 93.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.716 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 38.5 m0 -56.4 -47.59 78.68 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.968 -178.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -65.22 -42.05 93.81 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.864 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 55.7 tp -68.04 -63.14 1.12 Allowed 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.885 -179.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -50.34 -36.93 13.84 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.307 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 48.6 tttt -55.07 -46.12 75.4 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.895 -178.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.22 -19.33 43.44 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.988 -179.462 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.561 HD13 ' O ' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -60.68 -44.7 96.18 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.75 -177.784 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.463 HD11 ' HB ' ' A' ' 51' ' ' ILE . 19.4 mt -62.79 -42.88 97.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 C-N-CA 119.963 -0.695 . . . . 0.0 109.709 -179.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -43.55 -29.18 0.45 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.541 -178.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 32.7 tttp . . . . . 0 C--N 1.326 -0.42 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 -179.907 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.4 tp . . . . . 0 C--O 1.238 0.449 0 CA-C-O 121.204 0.526 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.2 p -56.0 -33.3 64.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.279 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -56.12 -47.35 78.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.229 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.607 ' CD2' HG23 ' A' ' 12' ' ' VAL . 7.0 t-160 -57.25 -50.53 72.61 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.859 0.361 . . . . 0.0 110.059 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -46.23 -36.49 6.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.063 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.413 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 58.3 ttt85 -76.88 -47.33 21.51 Favored 'General case' 0 C--O 1.21 -1.023 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.433 178.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.417 ' O ' ' HB2' ' A' ' 15' ' ' LEU . 70.6 t80 -54.59 -47.96 72.7 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.309 0.576 . . . . 0.0 110.502 -178.522 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.607 HG23 ' CD2' ' A' ' 8' ' ' HIS . 34.1 t -61.82 -53.9 41.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 C-N-CA 120.146 -0.621 . . . . 0.0 111.662 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -69.33 -45.12 70.25 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.082 0.468 . . . . 0.0 111.878 -179.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.584 ' O ' ' N ' ' A' ' 17' ' ' GLN . 61.6 tp60 -67.54 -73.68 0.13 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.745 -179.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.553 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -37.26 -46.4 0.73 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -178.287 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.617 ' HB3' HG11 ' A' ' 26' ' ' VAL . 63.8 mttt -60.78 -40.21 91.7 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.716 178.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.584 ' N ' ' O ' ' A' ' 14' ' ' GLN . 48.0 mm-40 -66.47 -58.65 4.81 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.113 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.624 ' O ' HG22 ' A' ' 21' ' ' THR . . . -50.33 -15.99 0.29 Allowed 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.095 179.097 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.465 ' CD1' ' CZ ' ' A' ' 82' ' ' TYR . 3.1 mt -85.07 -47.7 9.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.114 178.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.467 ' CE ' HG22 ' A' ' 26' ' ' VAL . 97.8 mttt -46.48 -34.67 4.97 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.478 -179.538 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.624 HG22 ' O ' ' A' ' 18' ' ' ALA . 3.2 t -57.32 -33.47 67.75 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.429 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 92.6 mtt-85 -73.63 -13.75 61.05 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.532 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.02 30.49 3.92 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.596 HG12 ' N ' ' A' ' 25' ' ' LYS . 30.0 t -107.55 166.22 4.17 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 CA-C-O 120.789 0.328 . . . . 0.0 110.951 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.596 ' N ' HG12 ' A' ' 24' ' ' VAL . 98.6 mttt -135.2 143.24 46.31 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 179.077 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.617 HG11 ' HB3' ' A' ' 16' ' ' LYS . 4.1 m -123.49 124.59 69.99 Favored 'Isoleucine or valine' 0 C--O 1.231 0.113 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.804 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.57 ' HD3' ' H ' ' A' ' 29' ' ' ALA . 10.8 tmtt? -110.43 166.4 11.02 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.344 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -50.7 -42.08 56.62 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 121.19 0.519 . . . . 0.0 110.397 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.57 ' H ' ' HD3' ' A' ' 27' ' ' LYS . . . -63.18 -17.96 62.96 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.193 178.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.473 ' HB2' ' H ' ' A' ' 27' ' ' LYS . 20.7 t0 -68.93 -45.44 70.81 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.49 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.61 ' HG ' ' HZ1' ' A' ' 16' ' ' LYS . 5.8 mp -64.85 -41.39 95.74 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.198 0.523 . . . . 0.0 109.829 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 45.1 mt -58.62 -50.8 72.51 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 119.728 -0.789 . . . . 0.0 111.045 -178.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -73.76 -52.59 12.67 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.433 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.453 ' O ' HG22 ' A' ' 38' ' ' VAL . 78.1 t80 -58.99 -42.64 90.5 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -178.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.472 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 5.9 t80 -69.69 -43.1 73.15 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.798 179.46 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -73.43 -22.56 60.17 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.974 0.416 . . . . 0.0 110.787 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.69 -59.19 4.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.995 -179.472 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.523 ' O ' ' N ' ' A' ' 42' ' ' CYS . 2.6 m -66.02 -39.63 85.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.877 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -60.34 -25.43 65.81 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.817 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -54.89 -55.56 29.18 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.224 -179.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.7 p -114.18 -5.35 13.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.805 0.336 . . . . 0.0 110.81 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.566 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 1.5 m 45.18 57.21 15.22 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.365 -178.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.566 ' HD3' ' N ' ' A' ' 42' ' ' CYS . 18.4 Cg_exo -65.69 -39.9 19.21 Favored 'Trans proline' 0 C--N 1.308 -1.574 0 C-N-CA 122.408 2.072 . . . . 0.0 112.626 -178.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.683 ' CH2' ' CE3' ' A' ' 56' ' ' TRP . 0.5 OUTLIER -80.71 11.27 3.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.605 -179.587 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.561 ' C ' ' H ' ' A' ' 47' ' ' GLN . 3.1 m-85 42.16 51.93 6.56 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.097 -179.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 45' ' ' PHE . 6.7 Cg_endo -48.55 -4.7 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.665 0 C-N-CA 123.171 2.58 . . . . 0.0 111.944 179.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.561 ' H ' ' C ' ' A' ' 45' ' ' PHE . 87.0 mt-30 -55.16 -53.61 53.8 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.303 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -92.56 -28.43 16.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.871 0.367 . . . . 0.0 110.404 178.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 91.54 81.48 1.43 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 -178.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.9 t -144.73 166.71 24.44 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 121.121 -0.231 . . . . 0.0 110.471 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -110.97 139.52 34.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.182 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.646 ' H ' ' HE1' ' A' ' 44' ' ' TRP . 43.9 t0 -139.76 121.68 15.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.991 0.424 . . . . 0.0 110.442 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.414 HG22 ' NH2' ' A' ' 57' ' ' ARG . 33.2 mm -74.84 -40.18 46.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.36 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -63.58 -55.6 22.5 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.64 -178.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 85.4 mmt-85 -61.41 -34.27 75.1 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.265 -179.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.683 ' CE3' ' CH2' ' A' ' 44' ' ' TRP . 32.4 t-105 -57.65 -41.15 80.9 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.13 0.491 . . . . 0.0 110.578 -179.33 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.414 ' NH2' HG22 ' A' ' 53' ' ' ILE . 94.3 mtm-85 -64.99 -38.48 91.11 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.647 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.498 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 95.1 mtt180 -59.29 -49.12 79.03 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.117 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.5 p -70.32 -35.73 63.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.667 179.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -63.91 -44.92 95.35 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -73.08 -40.86 64.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.927 0.394 . . . . 0.0 110.65 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 93.9 m -61.32 -36.07 79.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.698 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -82.26 -41.54 20.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.499 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 52.9 tt0 -64.55 -41.04 96.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.471 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.661 ' O ' HG23 ' A' ' 69' ' ' THR . 29.9 t0 -64.24 -51.97 61.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.62 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.463 ' O ' ' OG1' ' A' ' 69' ' ' THR . 64.2 t80 -64.16 -42.66 96.65 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.096 0.474 . . . . 0.0 110.618 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.479 ' CZ ' ' CB ' ' A' ' 72' ' ' PRO . 51.4 t80 -66.09 -38.34 88.0 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.703 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 64' ' ' GLN . 1.2 m-80 -62.5 -41.13 98.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.177 -179.151 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.661 HG23 ' O ' ' A' ' 65' ' ' ASP . 81.3 p -48.55 -22.44 0.75 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.728 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -88.25 15.09 8.1 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.735 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 40.08 58.09 2.4 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.519 ' O ' HG23 ' A' ' 75' ' ' VAL . 66.4 Cg_endo -78.74 129.56 9.21 Favored 'Trans proline' 0 C--N 1.308 -1.576 0 C-N-CA 122.752 2.301 . . . . 0.0 112.358 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -88.31 -22.99 23.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.582 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.521 ' O ' ' C ' ' A' ' 75' ' ' VAL . 56.1 mmtt -66.32 -47.16 74.44 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.04 -179.044 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.521 ' C ' ' O ' ' A' ' 74' ' ' LYS . 58.7 t 20.62 79.75 0.16 Allowed Pre-proline 0 N--CA 1.464 0.256 0 O-C-N 124.185 0.928 . . . . 0.0 110.831 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -56.84 125.87 20.4 Favored 'Trans proline' 0 C--N 1.309 -1.536 0 C-N-CA 122.329 2.019 . . . . 0.0 111.768 -178.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.416 HG12 ' O ' ' A' ' 77' ' ' VAL . 86.3 t -83.25 -17.05 11.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.964 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 81.1 p -47.71 -20.81 0.31 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.539 -179.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' A' ' 77' ' ' VAL . . . -57.55 -23.6 51.41 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.175 0.512 . . . . 0.0 110.684 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.584 ' CE1' ' ND2' ' A' ' 84' ' ' ASN . 74.1 t80 -69.86 -28.95 66.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.739 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 55.0 m -71.19 -37.81 72.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.505 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.465 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 8.5 m-85 -60.77 -49.29 78.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.557 ' CD1' ' N ' ' A' ' 83' ' ' TRP . 6.1 m0 -60.28 -44.72 95.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 -179.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.584 ' ND2' ' CE1' ' A' ' 80' ' ' PHE . 67.0 m-20 -64.14 -43.76 94.25 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-O 120.914 0.388 . . . . 0.0 111.616 -179.593 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 55.7 tp -67.32 -62.36 1.46 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 120.818 0.342 . . . . 0.0 110.968 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.5 mt -54.04 -36.78 32.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.306 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.435 ' CB ' ' O ' ' A' ' 83' ' ' TRP . 50.5 tttt -52.62 -46.2 66.92 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -178.618 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.77 -19.77 44.11 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.568 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.594 HD13 ' O ' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -62.82 -47.47 83.27 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.55 -178.294 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.54 ' O ' ' N ' ' A' ' 92' ' ' LYS . 3.4 mt -63.66 -42.25 95.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.292 -179.336 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -42.39 -18.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.612 -178.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.54 ' N ' ' O ' ' A' ' 90' ' ' ILE . 97.1 mttt . . . . . 0 C--N 1.326 -0.413 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.742 178.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . 0.747 ' H52' ' OE2' ' A' ' 4' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.708 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -58.64 -20.89 51.74 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.073 0.463 . . . . 0.0 110.493 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.747 ' OE2' ' H52' ' A' ' 1' ' ' MYR . 96.8 mt-10 -51.71 -18.43 1.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.622 179.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 31.7 tp -40.81 -29.24 0.09 Allowed 'General case' 0 C--O 1.243 0.744 0 CA-C-O 121.559 0.695 . . . . 0.0 110.423 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.4 p -54.21 -27.52 34.92 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.932 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.635 ' OE1' ' H61' ' A' ' 1' ' ' MYR . 73.3 mt-30 -57.87 -46.33 84.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.094 179.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.726 ' NE2' ' H92' ' A' ' 1' ' ' MYR . 45.7 m-70 -57.03 -49.31 76.22 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.115 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -49.24 -39.76 31.4 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.271 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 -75.23 -46.03 36.47 Favored 'General case' 0 C--O 1.216 -0.691 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.395 179.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.737 ' CE1' H143 ' A' ' 1' ' ' MYR . 69.2 t80 -54.78 -45.3 74.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.042 0.449 . . . . 0.0 110.381 -179.054 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 30.8 t -61.0 -51.36 74.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 C-N-CA 120.186 -0.606 . . . . 0.0 111.058 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -68.56 -40.69 80.51 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.152 0.501 . . . . 0.0 111.281 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.527 ' O ' ' N ' ' A' ' 17' ' ' GLN . 65.5 tp60 -70.3 -72.41 0.2 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.413 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.516 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -37.89 -49.02 1.2 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 -178.581 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.597 ' HZ2' ' CD1' ' A' ' 31' ' ' LEU . 59.0 mttt -60.01 -41.01 91.21 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.052 -0.659 . . . . 0.0 111.106 179.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.527 ' N ' ' O ' ' A' ' 14' ' ' GLN . 46.5 mt-30 -65.97 -58.69 4.96 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-O 121.401 0.62 . . . . 0.0 109.962 179.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.667 ' O ' HG22 ' A' ' 21' ' ' THR . . . -52.54 -15.61 0.72 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.087 179.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.645 HD22 HG21 ' A' ' 24' ' ' VAL . 3.4 mt -83.97 -50.25 8.2 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.617 178.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -45.43 -31.73 1.84 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.035 -179.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.667 HG22 ' O ' ' A' ' 18' ' ' ALA . 2.1 t -60.41 -35.2 75.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.45 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 19' ' ' LEU . 61.0 mtp85 -72.82 -10.47 59.83 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.404 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 105.33 30.05 4.86 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.645 HG21 HD22 ' A' ' 19' ' ' LEU . 13.9 t -105.85 167.68 3.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 116.653 0.227 . . . . 0.0 110.46 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.547 ' N ' HG12 ' A' ' 24' ' ' VAL . 99.4 mttt -117.1 152.4 34.78 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.312 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.724 ' O ' HG23 ' A' ' 26' ' ' VAL . 12.8 m -126.64 102.22 9.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 CA-C-O 121.086 0.469 . . . . 0.0 110.741 -179.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.462 ' HG2' ' H ' ' A' ' 28' ' ' TYR . 16.6 ttmt -111.13 162.67 14.68 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.299 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.462 ' H ' ' HG2' ' A' ' 27' ' ' LYS . 90.5 m-85 -57.66 -43.13 84.75 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.253 0.549 . . . . 0.0 110.223 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.79 -20.97 25.27 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.26 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.424 ' HB3' ' HZ3' ' A' ' 16' ' ' LYS . 37.6 t0 -71.51 -41.43 69.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.917 179.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.597 ' CD1' ' HZ2' ' A' ' 16' ' ' LYS . 4.4 mp -64.45 -41.16 96.71 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.162 0.506 . . . . 0.0 110.272 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 34.2 mt -59.04 -47.46 85.15 Favored 'General case' 0 C--N 1.31 -1.13 0 C-N-CA 119.64 -0.824 . . . . 0.0 110.971 -178.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -78.16 -52.68 8.35 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.365 -178.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.525 ' O ' HG22 ' A' ' 38' ' ' VAL . 84.0 t80 -58.28 -40.63 82.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.964 0.411 . . . . 0.0 111.748 -178.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.431 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 4.4 t80 -72.16 -44.62 62.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.558 179.107 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -70.32 -25.14 63.17 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.914 0.388 . . . . 0.0 111.219 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -65.55 -59.9 3.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.788 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.525 HG22 ' O ' ' A' ' 34' ' ' PHE . 2.6 m -66.98 -40.35 85.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -55.0 -29.83 58.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.703 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -47.0 -62.48 1.39 Allowed 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.654 -0.419 . . . . 0.0 110.893 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.444 ' C ' ' SG ' ' A' ' 42' ' ' CYS . 16.5 p -115.07 5.09 14.83 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.117 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.519 ' N ' ' O ' ' A' ' 38' ' ' VAL . 0.8 OUTLIER 33.93 65.46 1.44 Allowed Pre-proline 0 N--CA 1.464 0.259 0 O-C-N 123.498 0.499 . . . . 0.0 110.314 -178.752 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.574 ' C ' ' H ' ' A' ' 45' ' ' PHE . 23.7 Cg_exo -63.9 -19.56 66.91 Favored 'Trans proline' 0 N--CA 1.494 1.543 0 C-N-CA 122.89 2.393 . . . . 0.0 112.077 -178.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.713 ' CE2' H142 ' A' ' 1' ' ' MYR . 1.2 m-90 -67.96 23.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.011 0.434 . . . . 0.0 110.914 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.574 ' H ' ' C ' ' A' ' 43' ' ' PRO . 0.1 OUTLIER 77.64 92.26 0.05 OUTLIER Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 -179.636 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -54.68 -18.52 15.95 Favored 'Trans proline' 0 C--N 1.304 -1.792 0 C-N-CA 122.355 2.037 . . . . 0.0 112.05 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -83.8 -59.89 2.28 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 119.991 -0.684 . . . . 0.0 111.567 -179.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.521 ' OE2' ' H51' ' A' ' 1' ' ' MYR . 31.1 tp10 -94.16 -27.19 16.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.428 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 45' ' ' PHE . . . 74.02 33.1 57.81 Favored Glycine 0 CA--C 1.538 1.505 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 -178.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.571 ' N ' ' O ' ' A' ' 44' ' ' TRP . 10.9 t -94.09 172.77 8.02 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.013 0.435 . . . . 0.0 110.762 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.49 HG23 ' NE1' ' A' ' 44' ' ' TRP . 1.3 mt -83.8 138.71 18.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.298 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -136.81 122.13 19.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.887 0.375 . . . . 0.0 110.608 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 39.6 mm -71.36 -42.49 73.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.437 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -64.14 -51.44 63.91 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.481 0.658 . . . . 0.0 110.719 -179.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -64.99 -35.37 80.99 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.112 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 37.8 t-105 -55.01 -39.32 68.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.182 0.515 . . . . 0.0 110.288 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -66.03 -37.57 86.22 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.106 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.513 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 79.8 ttt-85 -59.3 -50.17 75.0 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.793 -179.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.2 p -67.83 -34.29 66.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.459 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -63.39 -50.8 59.64 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.296 -0.722 . . . . 0.0 111.296 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.561 ' OD1' ' N ' ' A' ' 62' ' ' CYS . 3.5 p30 -70.29 -35.11 73.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.75 0.309 . . . . 0.0 110.815 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.561 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 94.4 m -65.76 -38.61 89.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.846 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -79.65 -42.03 25.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.513 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.817 HE21 HD21 ' A' ' 68' ' ' ASN . 51.8 tp60 -65.51 -36.89 85.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.628 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.537 ' O ' HG23 ' A' ' 69' ' ' THR . 58.8 t0 -65.53 -55.21 19.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.676 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.478 ' O ' ' OG1' ' A' ' 69' ' ' THR . 7.8 m-85 -64.33 -40.12 95.26 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.093 0.473 . . . . 0.0 110.619 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.419 ' CD1' ' HG3' ' A' ' 72' ' ' PRO . 57.8 t80 -64.11 -41.01 97.41 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.648 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.817 HD21 HE21 ' A' ' 64' ' ' GLN . 3.5 m120 -61.71 -40.75 96.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.207 -179.087 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.537 HG23 ' O ' ' A' ' 65' ' ' ASP . 71.7 p -50.96 -24.83 3.96 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.951 -0.299 . . . . 0.0 110.564 -179.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -85.39 13.6 6.46 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.627 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.408 ' N ' ' HD3' ' A' ' 72' ' ' PRO . . . 40.48 59.68 2.22 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.441 ' O ' HG23 ' A' ' 75' ' ' VAL . 55.3 Cg_endo -77.96 128.53 9.23 Favored 'Trans proline' 0 C--N 1.308 -1.585 0 C-N-CA 122.81 2.34 . . . . 0.0 111.933 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -87.92 -31.63 19.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.077 0.465 . . . . 0.0 110.9 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.485 ' O ' ' C ' ' A' ' 75' ' ' VAL . 53.0 mmtt -63.27 -46.65 85.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.365 -178.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.485 ' C ' ' O ' ' A' ' 74' ' ' LYS . 96.2 t 25.95 78.52 0.24 Allowed Pre-proline 0 N--CA 1.468 0.431 0 O-C-N 123.663 0.602 . . . . 0.0 111.081 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -55.7 125.82 20.39 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.003 1.802 . . . . 0.0 111.531 -178.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 98.6 t -82.13 -22.1 9.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.944 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 43.9 p -46.93 -26.97 1.11 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.356 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.67 -24.86 58.86 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.277 0.561 . . . . 0.0 110.949 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -64.91 -39.26 93.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.422 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.463 ' CB ' ' HE ' ' A' ' 22' ' ' ARG . 67.2 m -63.13 -38.97 93.29 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.886 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.513 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 5.8 m-85 -57.73 -50.59 72.73 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.691 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.432 ' CE3' ' OD1' ' A' ' 84' ' ' ASN . 36.5 t90 -59.43 -43.07 93.15 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.78 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.432 ' OD1' ' CE3' ' A' ' 83' ' ' TRP . 98.1 m-20 -64.65 -44.01 91.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.294 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 55.2 tp -68.36 -54.13 19.36 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-O 120.816 0.341 . . . . 0.0 110.552 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.1 mt -57.83 -39.6 71.88 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.308 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -51.23 -50.41 59.19 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.674 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.451 ' O ' ' OD1' ' A' ' 91' ' ' ASP . 0.4 OUTLIER -84.23 -17.11 40.87 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 179.879 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 21.7 tp -60.44 -41.03 93.19 Favored 'General case' 0 CA--C 1.51 -0.594 0 CA-C-O 121.072 0.463 . . . . 0.0 110.541 -176.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 92' ' ' LYS . 36.5 mt -61.45 -41.04 88.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.959 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.587 ' OD1' ' N ' ' A' ' 92' ' ' LYS . 0.5 OUTLIER -41.52 -25.01 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.591 -178.279 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.587 ' N ' ' OD1' ' A' ' 91' ' ' ASP . 97.5 mttt -63.69 134.44 55.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.644 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -95.63 -10.5 29.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.618 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -86.36 17.29 3.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.576 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 92' ' ' LYS . 40.8 t -63.86 139.87 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.063 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.456 ' OD1' ' NE2' ' A' ' 7' ' ' GLN . 0.5 OUTLIER -40.03 159.82 0.12 Allowed Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.923 -179.17 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.538 ' O ' ' N ' ' A' ' 99' ' ' VAL . 51.8 Cg_exo -42.4 -20.94 0.16 Allowed 'Trans proline' 0 C--N 1.313 -1.317 0 C-N-CA 122.804 2.336 . . . . 0.0 112.275 179.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 96' ' ' ASN . 4.9 pt20 -44.64 -14.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 121.045 -0.262 . . . . 0.0 110.695 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.631 ' O ' HG23 ' A' ' 103' ' ' VAL . 97.3 t -61.67 -46.76 95.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.354 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 96.5 mmm -67.35 -40.17 85.82 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.049 0.452 . . . . 0.0 110.965 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.61 -18.37 56.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.702 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.536 ' O ' ' N ' ' A' ' 104' ' ' ALA . . . -87.19 -42.54 12.9 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.438 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 99' ' ' VAL . 24.3 t -41.83 -20.01 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.609 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 102' ' ' ALA . . . -44.11 -17.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.529 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 103' ' ' VAL . 89.2 mt-30 -56.26 -41.09 75.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.635 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 86.2 m -117.84 129.13 55.47 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.48 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -137.49 148.05 45.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.676 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.91 123.47 19.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.996 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.775 HD12 ' OD2' ' A' ' 117' ' ' ASP . 46.0 pt -66.58 -17.52 22.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.017 -179.295 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.426 ' C ' HD12 ' A' ' 110' ' ' LEU . 1.6 pp -121.44 42.65 3.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.444 -179.181 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 45.8 pttt -65.78 -37.24 85.78 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.627 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 67.1 m -134.89 167.96 19.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.97 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -63.71 -39.72 95.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.537 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 78.3 p -48.39 -32.82 8.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.332 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -51.88 134.47 31.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.077 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.428 ' O ' ' O ' ' A' ' 117' ' ' ASP . 6.4 m -60.74 -43.56 97.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.199 -179.268 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.775 ' OD2' HD12 ' A' ' 109' ' ' ILE . 81.6 m-20 -55.2 -164.7 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.39 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.544 ' N ' HD12 ' A' ' 118' ' ' LEU . 10.4 mp -65.72 144.54 56.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.504 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -61.62 158.84 14.39 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.839 0.352 . . . . 0.0 110.39 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -64.85 -42.08 95.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.527 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -99.57 130.68 45.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.444 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 48.1 p-80 -150.45 164.18 36.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.71 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -133.55 140.65 47.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.71 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -145.18 141.17 28.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.599 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 80.7 t60 . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.543 -179.91 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . 0.821 H143 ' CZ ' ' A' ' 11' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.7 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -56.86 -23.28 43.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.73 0.3 . . . . 0.0 110.502 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 7' ' ' GLN . 95.8 mt-10 -51.06 -21.89 2.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.581 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 30.2 tp -41.12 -41.81 1.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.594 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.0 p -53.39 -34.0 55.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.596 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.653 ' NE2' ' H92' ' A' ' 1' ' ' MYR . 53.6 tt0 -54.67 -45.04 73.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.629 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.701 ' CE1' ' H62' ' A' ' 1' ' ' MYR . 3.1 m80 -59.41 -49.78 76.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.545 179.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -43.94 -30.52 0.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.558 178.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -81.97 -41.71 20.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.632 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.821 ' CZ ' H143 ' A' ' 1' ' ' MYR . 70.2 t80 -54.46 -49.03 71.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.563 178.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.9 t -61.25 -53.6 46.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.556 -179.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -64.57 -40.47 95.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.563 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.6 ' O ' ' N ' ' A' ' 17' ' ' GLN . 71.6 tp60 -69.97 -74.12 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.605 -179.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.621 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -34.32 -46.86 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.562 179.837 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.541 ' HZ3' ' HG ' ' A' ' 31' ' ' LEU . 11.1 mtpt -62.75 -41.2 99.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.543 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.6 ' N ' ' O ' ' A' ' 14' ' ' GLN . 70.0 mt-30 -67.82 -58.19 5.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.548 178.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.702 ' O ' HG22 ' A' ' 21' ' ' THR . . . -50.4 -16.11 0.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.579 178.032 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.504 HD11 ' CZ ' ' A' ' 82' ' ' TYR . 5.2 mt -85.76 -48.96 8.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.59 179.147 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 66.8 tttm -43.79 -33.56 1.33 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.63 179.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.702 HG22 ' O ' ' A' ' 18' ' ' ALA . 4.3 t -61.43 -32.55 72.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.588 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 19' ' ' LEU . 94.5 mtt-85 -75.52 -9.31 58.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.5 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 105.86 29.71 4.84 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.513 HG12 ' H ' ' A' ' 25' ' ' LYS . 3.0 t -105.97 168.64 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.805 0.336 . . . . 0.0 110.542 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.513 ' H ' HG12 ' A' ' 24' ' ' VAL . 99.1 mttt -114.24 142.53 46.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.56 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.791 ' O ' HG23 ' A' ' 26' ' ' VAL . 21.6 m -115.97 90.72 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.572 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.469 ' HG2' ' H ' ' A' ' 28' ' ' TYR . 19.5 ttmt -109.37 164.85 12.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.546 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.469 ' H ' ' HG2' ' A' ' 27' ' ' LYS . 96.4 m-85 -64.19 -35.71 81.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.599 179.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.12 -21.81 65.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.553 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -74.88 -38.24 61.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.535 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.541 ' HG ' ' HZ3' ' A' ' 16' ' ' LYS . 1.7 mp -61.87 -42.11 98.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.534 179.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 43.2 mt -53.93 -55.39 27.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.611 -178.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 37' ' ' PHE . 88.3 tttt -74.62 -50.3 18.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.488 -178.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -58.75 -42.03 87.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.566 -177.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.517 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 8.2 t80 -72.17 -46.52 56.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.551 -177.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -77.28 -20.46 55.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.529 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.508 ' N ' ' O ' ' A' ' 33' ' ' LYS . 1.6 t80 -61.0 -52.06 66.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.583 -179.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.577 ' O ' ' N ' ' A' ' 42' ' ' CYS . 2.4 m -76.48 -35.01 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.525 -179.579 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -63.96 -31.55 72.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.598 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -52.12 -46.04 65.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.601 -179.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.51 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 15.7 p -113.7 -6.12 13.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.579 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.577 ' N ' ' O ' ' A' ' 38' ' ' VAL . 8.5 p 36.85 58.86 3.72 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.52 -179.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.469 ' HD3' ' N ' ' A' ' 42' ' ' CYS . 58.9 Cg_endo -80.15 -38.93 0.29 Allowed 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.764 2.31 . . . . 0.0 112.106 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.773 ' HE1' ' H ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -76.47 5.72 6.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.531 -179.447 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.7 ' HB2' ' HB1' ' A' ' 102' ' ' ALA . 28.9 m-85 55.4 53.04 8.49 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.55 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.46 ' CD ' ' N ' ' A' ' 45' ' ' PHE . 5.0 Cg_endo -47.45 -9.36 0.06 OUTLIER 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.806 2.337 . . . . 0.0 112.135 -178.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.787 ' O ' ' H42' ' A' ' 1' ' ' MYR . 94.6 mm-40 -62.99 -57.23 11.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.561 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.608 ' O ' ' H71' ' A' ' 1' ' ' MYR . 43.9 tp10 -94.64 -13.54 25.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.547 178.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.555 ' O ' ' H91' ' A' ' 1' ' ' MYR . . . 66.99 91.28 0.05 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.467 ' OG1' HG22 ' A' ' 99' ' ' VAL . 15.1 t -139.55 168.66 19.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.838 0.351 . . . . 0.0 110.573 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -120.89 139.42 48.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.58 179.345 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.773 ' H ' ' HE1' ' A' ' 44' ' ' TRP . 51.6 t0 -144.4 121.52 11.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.594 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.4 mm -71.81 -42.22 69.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.537 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.67 -52.76 59.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.619 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 27.2 ttm-85 -63.15 -37.85 88.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.631 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.623 ' CE3' ' CH2' ' A' ' 44' ' ' TRP . 23.4 t-105 -55.39 -37.67 67.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.595 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 75.7 ttt-85 -65.56 -41.49 92.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.6 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.498 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 99.7 mtt180 -57.78 -53.03 62.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.567 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.4 ' H ' HG12 ' A' ' 59' ' ' VAL . 3.0 p -64.48 -39.16 84.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.559 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.02 -48.67 81.79 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -69.18 -35.18 76.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.807 0.336 . . . . 0.0 110.576 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 89.6 m -64.53 -37.32 87.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.562 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -82.0 -41.99 19.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.622 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -64.93 -40.11 94.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.585 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.662 ' O ' HG23 ' A' ' 69' ' ' THR . 61.2 t0 -61.75 -53.52 54.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.554 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.458 ' O ' ' OG1' ' A' ' 69' ' ' THR . 4.7 m-85 -67.25 -38.57 85.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.575 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.427 ' CD1' ' HG3' ' A' ' 72' ' ' PRO . 59.2 t80 -67.4 -39.81 85.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.553 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.419 ' O ' ' N ' ' A' ' 71' ' ' GLY . 3.4 m120 -62.47 -40.31 96.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.604 -178.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.662 HG23 ' O ' ' A' ' 65' ' ' ASP . 77.4 p -50.88 -21.54 1.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.616 -178.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -89.57 14.69 10.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.548 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.433 ' N ' ' HD3' ' A' ' 72' ' ' PRO . . . 40.89 58.99 2.55 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.433 ' HD3' ' N ' ' A' ' 71' ' ' GLY . 56.8 Cg_endo -78.15 127.69 8.57 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.786 2.324 . . . . 0.0 112.107 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -88.61 -18.98 26.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.591 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.532 ' O ' ' C ' ' A' ' 75' ' ' VAL . 51.1 mmtt -73.23 -48.25 36.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.521 -179.074 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.532 ' C ' ' O ' ' A' ' 74' ' ' LYS . 89.6 t 28.71 79.23 0.25 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.481 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -55.24 123.94 15.05 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.797 2.331 . . . . 0.0 112.141 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 77.5 t -81.06 -17.14 12.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.595 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 69.3 p -45.72 -31.32 1.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.536 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.67 -30.33 63.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.549 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -68.94 -35.48 76.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.538 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.7 m -63.73 -40.55 97.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.554 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.504 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 19.8 m-85 -58.83 -48.91 79.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.536 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.501 ' C ' ' CD1' ' A' ' 83' ' ' TRP . 9.0 t-105 -55.61 -49.95 71.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.566 -178.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -64.43 -43.04 95.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.554 -178.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 64.6 tp -66.86 -67.51 0.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.585 -178.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -49.77 -35.1 9.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.513 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 45.8 tttt -53.54 -44.46 69.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.58 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.488 ' O ' ' OD2' ' A' ' 91' ' ' ASP . 0.6 OUTLIER -83.5 -18.98 36.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.583 -177.669 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.635 HD13 ' O ' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -64.58 -41.98 95.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.538 -178.592 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 6.3 mt -62.64 -45.11 99.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.548 -178.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.548 ' OD2' ' C ' ' A' ' 91' ' ' ASP . 17.9 p30 -78.27 -5.84 53.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.58 -178.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -63.02 -47.9 81.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.578 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -128.57 174.14 9.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.558 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.523 ' O ' ' O ' ' A' ' 95' ' ' VAL . 57.3 mp0 -82.48 16.66 2.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.576 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.523 ' O ' ' O ' ' A' ' 94' ' ' GLU . 35.9 m 35.17 -159.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.579 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.524 ' ND2' ' OE1' ' A' ' 98' ' ' GLN . 0.0 OUTLIER -152.45 162.57 26.15 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.613 -179.63 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.619 ' O ' ' N ' ' A' ' 99' ' ' VAL . 6.5 Cg_endo -47.95 -19.95 1.81 Allowed 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.808 2.339 . . . . 0.0 112.131 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.524 ' OE1' ' ND2' ' A' ' 96' ' ' ASN . 9.1 pt20 -37.83 -20.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.543 178.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.619 ' N ' ' O ' ' A' ' 97' ' ' PRO . 85.8 t -64.59 -43.29 96.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.571 179.1 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.466 ' N ' ' O ' ' A' ' 97' ' ' PRO . 64.3 mtt -71.07 -39.23 72.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.545 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.549 ' HB3' ' HG2' ' A' ' 48' ' ' GLU . . . -63.59 -21.54 66.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.591 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.7 ' HB1' ' HB2' ' A' ' 45' ' ' PHE . . . -66.97 -38.06 85.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.573 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 70.9 t -56.31 -41.83 72.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.589 178.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.55 ' O ' ' N ' ' A' ' 106' ' ' THR . . . -54.14 -26.79 29.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.54 179.259 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 56.61 -78.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.607 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.55 ' N ' ' O ' ' A' ' 104' ' ' ALA . 47.8 p -126.4 -162.36 1.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.601 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 55.4 167.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.52 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -87.9 126.06 34.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.634 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 42.8 pt -51.03 -23.38 2.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.625 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 95.5 mt -64.29 -36.91 85.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.583 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -68.3 -32.14 72.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.502 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 58.3 m -58.29 -46.75 85.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.528 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -64.2 -45.67 87.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.526 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 96.7 p -160.79 152.76 19.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.561 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -100.01 11.97 38.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.545 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.3 m -63.35 -43.0 98.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.564 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -64.33 -44.94 89.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.543 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 73.3 mt -122.49 75.24 1.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.558 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.0 tp10 -87.57 139.08 30.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.602 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -66.24 -39.48 89.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.596 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -113.86 129.47 56.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.548 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -62.01 -44.33 96.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.553 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 47.7 m80 -101.82 127.54 48.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.564 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -65.26 -42.51 93.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.557 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 117.928 -1.034 . . . . 0.0 110.491 -180.0 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . 0.851 H142 ' CE2' ' A' ' 44' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.633 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -54.24 -22.12 10.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.976 0.417 . . . . 0.0 110.511 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.541 ' OE1' ' ND2' ' A' ' 96' ' ' ASN . 37.1 tp10 -49.11 -19.56 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.207 0.527 . . . . 0.0 110.361 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.7 tp -42.75 -36.87 1.58 Allowed 'General case' 0 C--O 1.243 0.719 0 CA-C-O 121.27 0.557 . . . . 0.0 110.498 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.3 p -55.02 -33.36 62.56 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.899 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.452 ' OE1' ' OE1' ' A' ' 4' ' ' GLU . 60.5 tt0 -56.28 -41.99 76.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.096 179.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -57.71 -49.93 74.89 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -49.9 -32.88 15.67 Favored 'General case' 0 C--O 1.243 0.752 0 CA-C-O 121.608 0.718 . . . . 0.0 109.965 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -80.29 -49.19 11.91 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.799 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.841 ' CE1' H143 ' A' ' 1' ' ' MYR . 79.6 t80 -51.28 -41.76 60.65 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -179.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.7 t -59.9 -57.62 10.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.918 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.08 -41.41 97.32 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.784 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.599 ' O ' ' N ' ' A' ' 17' ' ' GLN . 68.1 tp60 -67.31 -74.9 0.1 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.637 -179.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.696 HD23 ' CE2' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -36.16 -44.94 0.42 Allowed 'General case' 0 C--O 1.233 0.223 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 -178.658 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -61.12 -42.93 99.43 Favored 'General case' 0 C--N 1.315 -0.892 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.889 178.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.599 ' N ' ' O ' ' A' ' 14' ' ' GLN . 67.6 mm-40 -65.0 -59.15 4.47 Favored 'General case' 0 C--O 1.239 0.548 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.689 ' O ' HG22 ' A' ' 21' ' ' THR . . . -49.58 -16.8 0.25 Allowed 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.833 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.658 HD22 HG21 ' A' ' 24' ' ' VAL . 3.4 mt -86.64 -48.39 8.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.675 178.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 66.7 tttm -42.76 -33.69 0.79 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.48 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.689 HG22 ' O ' ' A' ' 18' ' ' ALA . 6.5 t -63.48 -33.23 75.11 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.74 179.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 19' ' ' LEU . 16.9 mmm-85 -71.67 -11.39 60.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.434 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.56 25.52 5.97 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.658 HG21 HD22 ' A' ' 19' ' ' LEU . 16.7 t -104.43 169.49 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.612 0.244 . . . . 0.0 110.686 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.605 ' N ' HG12 ' A' ' 24' ' ' VAL . 82.0 tttt -111.81 154.17 25.5 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.379 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.773 ' O ' HG23 ' A' ' 26' ' ' VAL . 19.4 m -132.89 86.69 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 121.233 0.54 . . . . 0.0 110.727 -179.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.52 ' HD2' ' HB3' ' A' ' 29' ' ' ALA . 46.4 pttt -108.76 166.83 10.51 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.23 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.423 ' CE2' HD21 ' A' ' 32' ' ' LEU . 93.8 t80 -61.52 -40.25 93.95 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.011 0.434 . . . . 0.0 110.266 179.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.52 ' HB3' ' HD2' ' A' ' 27' ' ' LYS . . . -57.93 -23.34 53.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.69 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.467 ' HB2' ' O ' ' A' ' 27' ' ' LYS . 55.9 m-20 -72.86 -44.93 60.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.003 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.45 ' O ' ' CB ' ' A' ' 35' ' ' PHE . 3.3 mp -57.82 -42.63 84.71 Favored 'General case' 0 C--O 1.214 -0.782 0 C-N-CA 120.658 -0.417 . . . . 0.0 109.957 -179.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.423 HD21 ' CE2' ' A' ' 28' ' ' TYR . 43.9 mt -49.7 -58.21 5.76 Favored 'General case' 0 C--N 1.31 -1.145 0 C-N-CA 119.925 -0.71 . . . . 0.0 111.389 -179.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 37' ' ' PHE . 87.5 tttt -69.23 -54.36 15.14 Favored 'General case' 0 C--O 1.219 -0.526 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.866 -179.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.55 ' O ' HG22 ' A' ' 38' ' ' VAL . 0.7 OUTLIER -57.82 -40.98 81.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.052 0.453 . . . . 0.0 112.051 -178.393 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.45 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 9.3 t80 -70.64 -48.36 55.39 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.638 -179.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -75.49 -19.46 59.38 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.25 0.547 . . . . 0.0 110.679 -179.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 33' ' ' LYS . 11.7 t80 -65.89 -56.12 13.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.26 -178.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 34' ' ' PHE . 2.7 m -73.23 -32.32 37.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.895 179.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.483 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 86.3 tttt -60.15 -31.29 69.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.445 -179.266 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -43.06 -60.18 1.74 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.715 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 59.4 p -114.8 1.59 14.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.49 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 12.7 m 38.07 62.32 4.12 Favored Pre-proline 0 C--N 1.333 -0.148 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.648 -178.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.617 ' C ' ' H ' ' A' ' 45' ' ' PHE . 38.2 Cg_exo -60.79 -22.16 72.63 Favored 'Trans proline' 0 C--N 1.309 -1.522 0 C-N-CA 122.801 2.334 . . . . 0.0 112.087 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.851 ' CE2' H142 ' A' ' 1' ' ' MYR . 1.2 m-90 -65.73 25.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.117 0.484 . . . . 0.0 110.853 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.617 ' H ' ' C ' ' A' ' 43' ' ' PRO . 0.3 OUTLIER 62.48 97.02 0.04 OUTLIER Pre-proline 0 N--CA 1.445 -0.699 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 179.873 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -68.75 -7.13 19.7 Favored 'Trans proline' 0 N--CA 1.495 1.575 0 C-N-CA 122.596 2.197 . . . . 0.0 112.545 -177.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -84.62 -60.33 2.1 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.938 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.499 ' O ' ' H41' ' A' ' 1' ' ' MYR . 25.8 tp10 -94.73 -21.21 18.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.241 179.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.61 64.66 3.19 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 -178.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.3 t -132.05 171.89 13.05 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.943 0.401 . . . . 0.0 110.939 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.499 HG23 ' CE2' ' A' ' 44' ' ' TRP . 1.1 mt -84.37 138.59 18.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.159 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.424 ' OD2' ' C ' ' A' ' 52' ' ' ASP . 56.0 t0 -138.07 123.16 19.15 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.317 0.579 . . . . 0.0 110.565 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.5 mm -72.68 -40.06 61.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.202 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -62.71 -55.3 28.05 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.094 -178.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -64.56 -33.72 76.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.54 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 34.4 t-105 -57.42 -40.07 77.57 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.312 0.577 . . . . 0.0 110.573 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -66.49 -37.45 85.11 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.281 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.502 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 58.8 ttt85 -61.0 -50.06 74.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.018 -179.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.405 HG13 ' N ' ' A' ' 60' ' ' GLY . 3.1 p -65.48 -41.41 90.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.719 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.405 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -63.08 -48.88 76.42 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -68.01 -37.48 81.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.889 0.376 . . . . 0.0 110.624 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 65.8 m -63.38 -38.25 90.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -81.84 -41.34 21.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.924 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 61.9 tp60 -66.15 -38.29 87.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.584 -179.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.467 ' O ' HG23 ' A' ' 69' ' ' THR . 24.7 t0 -66.31 -50.97 61.82 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.604 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.438 ' O ' ' OG1' ' A' ' 69' ' ' THR . 58.0 t80 -66.33 -38.5 87.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.6 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.416 ' CE1' ' CG ' ' A' ' 72' ' ' PRO . 56.3 t80 -67.48 -37.58 83.09 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.606 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.492 ' O ' ' N ' ' A' ' 71' ' ' GLY . 90.5 m-20 -61.74 -40.75 96.18 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.082 -178.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.467 HG23 ' O ' ' A' ' 65' ' ' ASP . 80.9 p -47.61 -21.26 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.33 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -90.27 15.79 9.82 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.713 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 38.91 59.07 1.77 Allowed Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.766 -0.933 . . . . 0.0 110.766 -178.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.496 ' O ' HG23 ' A' ' 75' ' ' VAL . 59.7 Cg_endo -79.54 128.72 8.01 Favored 'Trans proline' 0 C--N 1.308 -1.602 0 C-N-CA 122.739 2.293 . . . . 0.0 112.443 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -87.87 -24.54 23.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.709 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.499 ' O ' ' C ' ' A' ' 75' ' ' VAL . 53.9 mmtt -66.24 -47.55 73.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.696 -178.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.499 ' C ' ' O ' ' A' ' 74' ' ' LYS . 74.0 t 27.48 80.29 0.22 Allowed Pre-proline 0 N--CA 1.463 0.205 0 O-C-N 123.944 0.777 . . . . 0.0 110.662 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.47 125.14 17.95 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.332 2.021 . . . . 0.0 111.516 -179.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.0 t -80.82 -20.76 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.8 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 65.5 p -45.62 -29.85 1.34 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.098 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.36 -33.01 70.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.076 0.465 . . . . 0.0 110.697 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -72.82 -35.1 67.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.244 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 69.1 p -68.95 -39.74 79.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.717 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.582 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 2.9 m-85 -61.38 -46.28 90.85 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.626 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 29.4 t90 -58.36 -44.21 88.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.126 -179.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -63.19 -44.93 93.98 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.273 -179.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.4 HD23 HD11 ' A' ' 15' ' ' LEU . 60.0 tp -68.17 -48.46 65.24 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-O 121.173 0.511 . . . . 0.0 110.841 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -62.41 -38.28 80.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.182 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 35.6 tttt -53.61 -45.63 70.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.788 -178.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.29 -19.09 47.48 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.236 -179.338 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.609 HD13 ' O ' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -61.75 -42.85 99.5 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.402 -177.769 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.7 mt -61.53 -42.95 95.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.227 -179.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -64.97 -10.06 26.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.429 -178.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.594 ' O ' HG13 ' A' ' 95' ' ' VAL . 72.0 tttt -68.11 133.95 49.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.611 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 95' ' ' VAL . 55.2 tttm -63.98 -29.43 70.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.614 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -67.98 55.17 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.925 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.594 HG13 ' O ' ' A' ' 92' ' ' LYS . 4.2 m -110.57 129.52 65.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 121.096 0.474 . . . . 0.0 110.443 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.541 ' ND2' ' OE1' ' A' ' 4' ' ' GLU . 0.9 OUTLIER -69.24 162.45 65.83 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.771 -179.476 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.544 ' O ' ' N ' ' A' ' 99' ' ' VAL . 71.4 Cg_exo -41.7 -23.18 0.21 Allowed 'Trans proline' 0 C--N 1.309 -1.544 0 C-N-CA 122.842 2.361 . . . . 0.0 111.94 179.311 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 102' ' ' ALA . 5.1 pt20 -44.27 -15.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.319 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.544 ' N ' ' O ' ' A' ' 97' ' ' PRO . 92.2 t -62.2 -46.13 97.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.745 0.307 . . . . 0.0 110.389 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 54.9 ttp -66.03 -36.18 82.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.421 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -83.64 -19.18 35.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.8 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 98' ' ' GLN . . . -69.83 -49.97 47.41 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.889 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.53 ' O ' HG23 ' A' ' 106' ' ' THR . 32.3 t -62.13 -43.08 97.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.116 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -39.67 -45.9 1.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.597 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.536 ' O ' ' CZ ' ' A' ' 45' ' ' PHE . 95.3 mm-40 -106.91 86.27 2.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.693 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.53 HG23 ' O ' ' A' ' 103' ' ' VAL . 3.8 p -115.58 -12.54 11.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.69 179.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -75.61 179.94 5.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.276 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.409 ' O ' ' OE1' ' A' ' 115' ' ' GLN . 79.1 mm-40 -111.02 122.64 48.42 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.292 179.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 35.7 pt -52.13 -30.5 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.708 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 112' ' ' SER . 57.8 mt -65.38 -34.12 77.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.45 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 110' ' ' LEU . 87.8 tttt -35.16 92.98 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.559 -179.506 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 110' ' ' LEU . 73.8 p -73.97 -11.07 60.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.784 -179.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -62.23 -41.27 98.26 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.576 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.7 t 178.8 90.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.409 ' OE1' ' O ' ' A' ' 108' ' ' GLU . 10.6 tt0 -174.16 -149.2 0.04 OUTLIER 'General case' 0 C--O 1.226 -0.15 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.674 179.412 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.402 ' H ' ' HG2' ' A' ' 115' ' ' GLN . 11.7 m -59.99 -43.88 94.87 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.699 -179.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -59.21 -45.6 90.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.39 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 54.1 tp -168.32 89.27 0.25 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.454 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.502 ' C ' ' H ' ' A' ' 121' ' ' HIS . 71.2 mm-40 -46.38 -23.85 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.341 . . . . 0.0 110.592 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 56.63 3.93 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.712 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.502 ' H ' ' C ' ' A' ' 119' ' ' GLU . 89.3 m-70 -113.83 125.66 54.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.477 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 81.0 m80 -116.08 131.8 56.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.615 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 53.8 m80 -64.84 -42.7 94.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.534 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 71.0 m80 -67.68 -37.41 82.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.634 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.44 ' OXT' ' ND1' ' A' ' 125' ' ' HIS . 55.7 t-80 . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.569 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . 0.688 H143 ' CE2' ' A' ' 11' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.637 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.463 ' C ' ' N ' ' A' ' 5' ' ' LEU . 49.1 tt0 -48.06 -23.11 0.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.79 0.328 . . . . 0.0 110.563 179.431 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.623 ' OE2' ' H52' ' A' ' 1' ' ' MYR . 75.3 tt0 -44.38 -19.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.566 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.463 ' N ' ' C ' ' A' ' 3' ' ' GLN . 56.6 tp -43.94 -32.56 1.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.583 179.532 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.6 p -51.74 -33.64 35.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.555 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -53.82 -46.49 71.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.581 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -54.51 -49.29 70.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.537 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -47.73 -34.65 8.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.555 178.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 41.6 mtm180 -81.54 -45.41 15.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.564 179.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.764 ' CE1' HD23 ' A' ' 15' ' ' LEU . 85.6 t80 -52.51 -43.85 65.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.647 179.032 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.46 HG13 ' NZ ' ' A' ' 16' ' ' LYS . 11.5 t -60.07 -54.79 29.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.563 -179.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -65.38 -36.33 83.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.583 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.585 ' O ' ' N ' ' A' ' 17' ' ' GLN . 66.9 tp60 -72.78 -73.29 0.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.58 -179.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.764 HD23 ' CE1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -34.5 -46.69 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.594 179.796 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.46 ' NZ ' HG13 ' A' ' 12' ' ' VAL . 54.5 mttp -62.92 -41.63 99.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.527 179.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.585 ' N ' ' O ' ' A' ' 14' ' ' GLN . 66.4 mt-30 -65.98 -57.4 7.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.549 177.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.747 ' O ' HG22 ' A' ' 21' ' ' THR . . . -52.77 -15.74 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.558 178.015 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.529 HD22 HG21 ' A' ' 24' ' ' VAL . 5.4 mt -86.92 -48.85 7.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.547 179.185 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -44.49 -34.47 2.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.571 179.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.747 HG22 ' O ' ' A' ' 18' ' ' ALA . 6.5 t -63.91 -29.38 70.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.518 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 19' ' ' LEU . 26.5 mmt-85 -77.22 -8.37 57.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.578 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 106.76 23.62 7.06 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.577 HG12 ' H ' ' A' ' 25' ' ' LYS . 5.7 t -102.01 169.91 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.731 0.301 . . . . 0.0 110.621 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.577 ' H ' HG12 ' A' ' 24' ' ' VAL . 61.4 mttp -114.38 144.18 43.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.544 178.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.798 ' O ' HG23 ' A' ' 26' ' ' VAL . 18.1 m -117.73 88.43 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.572 -179.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.514 ' HG2' ' H ' ' A' ' 28' ' ' TYR . 15.6 ttmt -109.35 165.36 11.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.572 179.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.514 ' H ' ' HG2' ' A' ' 27' ' ' LYS . 93.5 m-85 -56.93 -41.4 78.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.574 179.268 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.84 -20.71 6.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.579 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.428 ' HB2' ' O ' ' A' ' 27' ' ' LYS . 76.5 m-20 -72.75 -41.13 65.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.586 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.531 ' O ' ' CB ' ' A' ' 35' ' ' PHE . 4.0 mp -63.99 -41.55 97.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.553 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.2 mt -55.92 -53.78 52.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.522 -178.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 37' ' ' PHE . 87.8 tttt -77.64 -49.55 14.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.575 -177.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -60.18 -39.92 88.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.582 -177.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.531 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 11.2 t80 -74.45 -47.31 34.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.496 -177.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -75.8 -19.87 58.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.629 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.465 ' N ' ' O ' ' A' ' 33' ' ' LYS . 3.0 t80 -60.63 -52.07 66.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.586 -179.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.549 ' O ' ' N ' ' A' ' 42' ' ' CYS . 0.3 OUTLIER -77.89 -35.0 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.55 179.796 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 40' ' ' ASP . 75.6 tttt -54.19 -36.58 63.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.601 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 39' ' ' LYS . 66.6 t0 -39.49 -60.42 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.543 -179.372 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 42' ' ' CYS . 2.2 p -111.15 -6.5 14.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.509 -179.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.607 ' SG ' ' O ' ' A' ' 42' ' ' CYS . 16.8 p 36.45 60.31 3.34 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.571 -178.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.525 ' C ' ' H ' ' A' ' 45' ' ' PHE . 55.2 Cg_endo -79.94 -8.04 14.36 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.905 2.403 . . . . 0.0 112.112 -179.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.582 ' CE2' H141 ' A' ' 1' ' ' MYR . 0.4 OUTLIER -71.86 20.61 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.501 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.576 ' O ' ' N ' ' A' ' 49' ' ' GLY . 2.4 m-85 56.05 82.08 0.25 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.619 179.332 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -49.41 -24.32 8.63 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.846 2.364 . . . . 0.0 112.102 -177.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.491 ' O ' ' H41' ' A' ' 1' ' ' MYR . 75.9 mt-30 -84.39 -51.84 6.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.567 -178.345 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.564 ' O ' ' H51' ' A' ' 1' ' ' MYR . 0.5 OUTLIER -88.45 -12.24 43.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.596 -178.683 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.648 ' O ' ' H71' ' A' ' 1' ' ' MYR . . . 39.59 28.74 0.13 Allowed Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -178.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.417 HG22 ' HB3' ' A' ' 48' ' ' GLU . 8.8 t -91.0 169.85 10.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.775 0.322 . . . . 0.0 110.56 -179.043 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.465 ' HB ' HD11 ' A' ' 90' ' ' ILE . 0.9 OUTLIER -101.61 141.16 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.611 178.159 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -135.16 123.68 23.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.522 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.8 mm -72.03 -40.74 67.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.534 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -61.9 -59.58 4.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.531 -178.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -62.69 -31.03 71.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.601 -179.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 23.9 t-105 -58.59 -40.76 84.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.524 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 90.5 mtm180 -66.79 -33.39 75.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.59 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.526 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 78.4 ttt-85 -62.33 -53.4 55.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.522 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 p -64.47 -40.51 89.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.602 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -60.67 -48.77 84.58 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -71.0 -39.11 72.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.744 0.306 . . . . 0.0 110.525 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.526 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 97.3 m -63.42 -37.62 87.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.543 -178.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -82.37 -42.41 18.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.522 -179.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -65.41 -36.84 85.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.592 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.796 ' O ' HG23 ' A' ' 69' ' ' THR . 14.7 t70 -64.67 -54.39 32.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.552 -179.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.414 ' O ' ' OG1' ' A' ' 69' ' ' THR . 22.9 m-85 -69.21 -41.28 77.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.535 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.462 ' O ' ' N ' ' A' ' 71' ' ' GLY . 51.6 t80 -62.07 -46.75 87.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.518 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 61.4 t-20 -64.43 -38.94 92.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.584 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.796 HG23 ' O ' ' A' ' 65' ' ' ASP . 39.9 p -63.58 -32.94 74.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.621 -179.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -110.97 11.43 22.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.601 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 67' ' ' TYR . . . -130.94 -156.82 8.68 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -79.82 159.35 24.6 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.817 2.345 . . . . 0.0 112.117 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -80.79 -26.19 37.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.557 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.469 ' O ' ' O ' ' A' ' 75' ' ' VAL . 21.9 mtpt -62.3 -46.98 86.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.55 179.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.469 ' O ' ' O ' ' A' ' 74' ' ' LYS . 26.9 t 59.1 131.55 0.02 OUTLIER Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.508 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -50.24 123.5 11.2 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.83 2.353 . . . . 0.0 112.107 178.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 65.3 t -82.71 -25.06 8.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.531 -179.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.418 ' H ' HG23 ' A' ' 78' ' ' THR . 17.1 p -47.89 -27.34 2.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.6 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.84 -23.19 60.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.6 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -70.6 -34.76 72.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.572 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 41.2 m -70.15 -40.75 74.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.548 -179.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.519 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 2.8 m-85 -58.45 -50.01 75.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.581 -179.403 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 18.9 t90 -59.55 -41.7 90.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.538 -179.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -65.73 -42.82 90.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.508 -178.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.441 HD12 ' OE2' ' A' ' 88' ' ' GLU . 57.0 tp -71.06 -42.18 69.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.563 -177.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -69.83 -34.47 60.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.583 179.044 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 40.5 tttt -57.96 -38.17 75.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.574 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.441 ' OE2' HD12 ' A' ' 85' ' ' LEU . 12.8 pt-20 -87.17 -22.83 25.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.618 -178.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.632 HD13 ' O ' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -58.89 -45.72 89.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.525 -178.405 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.465 HD11 ' HB ' ' A' ' 51' ' ' ILE . 9.8 mt -61.99 -43.02 97.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.548 -179.201 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -60.62 -35.48 76.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.598 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -66.96 145.34 55.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.602 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -70.02 -2.01 11.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.528 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 69.4 tt0 -76.69 55.58 1.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.549 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 8.5 m -115.99 134.44 59.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.568 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.53 ' O ' ' N ' ' A' ' 98' ' ' GLN . 0.0 OUTLIER -67.09 166.22 21.61 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.561 -179.63 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.513 ' O ' ' N ' ' A' ' 99' ' ' VAL . 77.7 Cg_exo -41.65 -16.86 0.06 OUTLIER 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.725 2.284 . . . . 0.0 112.165 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.53 ' N ' ' O ' ' A' ' 96' ' ' ASN . 6.4 pt20 -46.2 -13.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.577 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.513 ' N ' ' O ' ' A' ' 97' ' ' PRO . 97.7 t -59.47 -48.63 86.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.604 -179.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 54.5 mtt -65.65 -44.22 87.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.546 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.476 ' O ' ' CG ' ' A' ' 48' ' ' GLU . . . -74.96 -18.21 60.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.554 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.511 ' HB2' ' O ' ' A' ' 98' ' ' GLN . . . -73.71 -41.19 62.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.539 -178.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 30.1 t -45.32 -34.39 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.516 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.71 -33.73 64.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.538 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -63.3 -44.51 94.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.594 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 36.3 p -66.89 -31.59 72.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.576 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -86.57 152.54 22.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.566 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -71.83 124.59 25.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.542 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 44.0 pt -53.57 -22.82 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.543 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.12 -41.88 94.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.596 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -68.16 -38.61 82.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.561 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 87.6 p -54.58 -48.46 72.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.606 -179.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -61.16 -44.65 96.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.576 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 44.4 p -163.36 155.69 18.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.577 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -99.43 9.52 43.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.565 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 40.3 p -58.5 -43.77 89.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.578 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -60.06 -48.49 81.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.538 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 89.8 mt -128.7 75.33 1.63 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.593 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -83.77 92.19 7.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.621 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 64.8 m80 -63.47 -45.83 89.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.547 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -102.64 121.02 41.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.531 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 53.0 m80 -58.99 -46.45 88.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.56 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 71.8 m-70 -118.87 142.13 48.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.501 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 68.9 m80 -65.86 -43.26 88.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.616 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 39.2 t-80 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.039 -0.982 . . . . 0.0 110.538 179.898 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . 0.643 H122 ' CD1' ' A' ' 11' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.644 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.493 ' O ' ' N ' ' A' ' 5' ' ' LEU . 86.4 mt-30 -66.06 -34.15 77.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.81 0.338 . . . . 0.0 110.553 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -42.08 -22.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.556 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 3' ' ' GLN . 28.9 tp -46.5 -33.83 4.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.581 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.4 p -56.2 -34.5 66.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.561 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -57.26 -41.99 80.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.601 179.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -59.35 -50.4 74.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.572 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -49.46 -34.72 17.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.578 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -77.29 -52.27 9.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.551 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.643 ' CD1' H122 ' A' ' 1' ' ' MYR . 68.3 t80 -49.57 -43.81 46.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.593 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.5 t -59.62 -57.75 10.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.637 -178.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.6 -43.63 84.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.575 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.638 ' O ' ' N ' ' A' ' 17' ' ' GLN . 65.8 tp60 -63.83 -78.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.566 -179.251 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.624 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -32.2 -42.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.59 179.645 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.816 ' HZ1' ' HG ' ' A' ' 31' ' ' LEU . 66.0 mttt -63.71 -43.03 97.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.539 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.638 ' N ' ' O ' ' A' ' 14' ' ' GLN . 71.1 mt-30 -60.1 -58.32 9.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.53 178.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.493 ' O ' ' CG2' ' A' ' 21' ' ' THR . . . -52.57 -16.7 0.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.554 178.331 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.597 HD22 HG21 ' A' ' 24' ' ' VAL . 5.8 mt -90.36 -49.7 6.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.606 178.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 19' ' ' LEU . 64.0 tttm -38.02 -42.77 0.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.597 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.493 ' CG2' ' O ' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -55.58 -37.55 68.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.613 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.545 ' N ' ' O ' ' A' ' 19' ' ' LEU . 75.4 mmt-85 -69.0 -9.77 54.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.497 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.32 29.53 4.2 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.597 HG21 HD22 ' A' ' 19' ' ' LEU . 3.5 t -104.61 169.8 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.867 0.365 . . . . 0.0 110.574 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.554 ' H ' HG12 ' A' ' 24' ' ' VAL . 67.7 mmtt -112.14 148.36 34.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.565 179.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.4 m -120.69 17.21 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.586 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.533 ' NZ ' ' OD2' ' A' ' 30' ' ' ASP . 19.0 pttp -52.43 164.59 0.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.552 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -60.56 -34.44 74.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.542 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.496 ' HB3' ' HD2' ' A' ' 27' ' ' LYS . . . -58.85 -22.17 58.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.577 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.533 ' OD2' ' NZ ' ' A' ' 27' ' ' LYS . 81.3 m-20 -72.04 -42.92 65.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.564 -179.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.816 ' HG ' ' HZ1' ' A' ' 16' ' ' LYS . 4.6 mp -61.34 -43.59 98.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.563 -179.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 51.4 mt -48.6 -67.27 0.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.555 -178.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.536 ' O ' ' N ' ' A' ' 37' ' ' PHE . 88.8 tttt -69.4 -49.13 58.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.585 -177.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.44 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 59.1 t80 -57.82 -42.82 85.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.656 -176.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.529 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 17.1 t80 -71.1 -47.38 58.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.585 -177.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -76.86 -19.92 56.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.566 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.536 ' N ' ' O ' ' A' ' 33' ' ' LYS . 3.5 t80 -63.2 -51.99 64.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.601 -178.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.537 ' O ' ' N ' ' A' ' 42' ' ' CYS . 3.3 m -75.1 -37.64 40.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.561 -179.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 40' ' ' ASP . 50.0 tttp -60.1 -38.98 84.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.498 -179.158 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 39' ' ' LYS . 94.0 m-20 -39.24 -52.14 1.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.514 -179.613 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.463 ' O ' ' C ' ' A' ' 42' ' ' CYS . 17.9 p -113.88 -4.21 13.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.531 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.537 ' N ' ' O ' ' A' ' 38' ' ' VAL . 6.9 p 35.04 60.52 2.41 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.619 -179.565 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.407 ' HD3' ' N ' ' A' ' 42' ' ' CYS . 57.9 Cg_endo -78.25 -35.89 1.14 Allowed 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.865 2.377 . . . . 0.0 112.141 -179.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.594 ' HE1' ' H ' ' A' ' 52' ' ' ASP . 0.1 OUTLIER -77.6 3.21 14.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.586 -179.47 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.697 ' CB ' ' HB1' ' A' ' 102' ' ' ALA . 60.9 m-85 55.33 50.31 5.82 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.519 -179.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 45' ' ' PHE . 6.4 Cg_endo -48.09 -6.29 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.821 2.347 . . . . 0.0 112.064 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.528 ' H ' ' C ' ' A' ' 45' ' ' PHE . 98.5 mm-40 -62.93 -56.24 18.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.502 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.67 ' HG2' ' HB3' ' A' ' 101' ' ' ALA . 51.2 tp10 -92.78 -30.2 15.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.518 179.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.53 87.12 1.37 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.8 t -142.68 166.64 24.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.782 0.325 . . . . 0.0 110.595 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.428 ' O ' ' OD2' ' A' ' 52' ' ' ASP . 0.3 OUTLIER -117.56 136.9 53.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.595 179.617 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.594 ' H ' ' HE1' ' A' ' 44' ' ' TRP . 96.3 m-20 -139.85 122.01 15.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.554 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 30.0 mm -75.68 -39.97 39.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.574 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -64.55 -53.38 48.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.607 -178.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.47 ' CZ ' ' CZ ' ' A' ' 45' ' ' PHE . 78.8 mtp85 -64.13 -33.82 76.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.567 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.584 ' CE3' ' CH2' ' A' ' 44' ' ' TRP . 13.4 t-105 -58.38 -37.41 75.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.62 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 71.4 ttp85 -66.97 -39.79 87.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.637 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.486 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 94.4 mtt-85 -57.33 -52.26 66.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.52 -179.603 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.8 p -66.25 -33.02 60.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.555 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.06 -46.13 82.73 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -75.92 -34.27 59.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.829 0.347 . . . . 0.0 110.552 -179.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.486 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 91.4 m -65.58 -38.86 90.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.564 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -82.17 -40.46 21.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.533 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -66.12 -35.99 81.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.545 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.815 ' O ' HG23 ' A' ' 69' ' ' THR . 10.6 t0 -66.75 -52.92 38.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.558 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.485 ' O ' ' OG1' ' A' ' 69' ' ' THR . 7.7 m-85 -67.97 -38.18 82.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.528 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.436 ' CD1' ' HG3' ' A' ' 72' ' ' PRO . 57.8 t80 -69.27 -41.27 77.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.536 -179.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.469 ' O ' ' N ' ' A' ' 71' ' ' GLY . 43.5 t-20 -62.79 -40.78 98.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.593 -178.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.815 HG23 ' O ' ' A' ' 65' ' ' ASP . 76.1 p -49.52 -19.54 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.607 -179.108 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -93.58 15.27 16.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.588 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 39.29 61.66 1.43 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.436 ' HG3' ' CD1' ' A' ' 67' ' ' TYR . 57.6 Cg_endo -80.3 132.61 9.28 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.854 2.369 . . . . 0.0 112.13 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -89.74 -32.1 17.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.537 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.514 ' O ' ' C ' ' A' ' 75' ' ' VAL . 50.8 mmtt -61.64 -49.07 78.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.6 -178.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.514 ' C ' ' O ' ' A' ' 74' ' ' LYS . 99.3 t 29.98 85.0 0.15 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.574 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_exo -55.87 125.23 18.42 Favored 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 122.772 2.315 . . . . 0.0 112.16 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 62.3 t -82.24 -22.91 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.569 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.7 p -44.56 -31.69 1.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.519 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.78 -35.03 68.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.512 179.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -73.74 -34.88 64.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.552 -179.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 77.9 p -69.12 -37.46 78.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.581 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.487 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 2.9 m-85 -61.89 -49.11 77.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.533 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 29.6 t90 -60.4 -38.13 82.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.541 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -63.3 -51.34 66.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.644 -178.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.41 HD23 HD11 ' A' ' 15' ' ' LEU . 62.2 tp -65.15 -50.06 67.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.584 -179.291 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -61.53 -40.22 85.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.547 -179.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 53.9 tttt -50.78 -49.02 59.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.572 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.424 ' C ' ' CD ' ' A' ' 88' ' ' GLU . 0.5 OUTLIER -84.49 -17.64 38.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.524 -178.83 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 89' ' ' LEU . 33.2 tp -60.79 -43.32 98.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.609 -178.133 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 30.5 mt -61.54 -45.37 98.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.53 -179.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -63.31 -11.72 24.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.612 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -62.7 -42.14 99.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.594 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.579 ' C ' ' H ' ' A' ' 95' ' ' VAL . 97.8 mttt -145.37 154.59 42.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.567 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.491 ' O ' ' O ' ' A' ' 95' ' ' VAL . 80.8 mm-40 -69.65 30.05 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.602 179.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.579 ' H ' ' C ' ' A' ' 93' ' ' LYS . 31.7 m 34.08 -155.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.582 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.525 ' C ' ' OD1' ' A' ' 96' ' ' ASN . 0.6 OUTLIER -154.14 175.51 3.01 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.576 -179.53 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.663 ' O ' ' N ' ' A' ' 99' ' ' VAL . 51.1 Cg_exo -53.06 -32.89 60.68 Favored 'Trans proline' 0 C--N 1.304 -1.784 0 C-N-CA 122.863 2.375 . . . . 0.0 112.11 -177.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.522 ' CG ' ' OD1' ' A' ' 96' ' ' ASN . 3.5 pt20 -37.64 -20.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.585 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.663 ' N ' ' O ' ' A' ' 97' ' ' PRO . 99.3 t -62.27 -44.43 99.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.571 178.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 97' ' ' PRO . 77.7 mtm -71.19 -40.48 71.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.599 -179.261 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.67 ' HB3' ' HG2' ' A' ' 48' ' ' GLU . . . -59.59 -23.84 63.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.575 -179.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.697 ' HB1' ' CB ' ' A' ' 45' ' ' PHE . . . -70.11 -40.33 74.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.585 179.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.461 ' C ' ' H ' ' A' ' 105' ' ' GLN . 49.9 t -54.53 -40.13 48.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.587 178.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.72 -9.58 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.623 179.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.461 ' H ' ' C ' ' A' ' 103' ' ' VAL . 75.5 mt-30 54.76 -109.58 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.571 -179.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 86.2 m -128.78 126.08 39.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.55 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -135.38 146.78 48.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.582 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -82.33 120.28 25.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.592 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 41.4 pt -48.43 -23.3 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.562 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 110' ' ' LEU . 95.0 mt -66.89 -38.26 85.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.549 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -64.36 -31.54 72.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.542 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 44.9 t -60.62 -47.04 88.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.532 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -67.78 -43.53 79.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.562 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 69.1 p -166.22 155.34 11.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.558 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.572 ' O ' ' N ' ' A' ' 119' ' ' GLU . 61.3 mt-30 -99.23 36.8 1.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.595 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 11.6 m -62.75 -43.84 97.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.58 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -60.44 -47.41 86.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.532 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' A' ' 119' ' ' GLU . 89.7 mt -94.28 2.67 55.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.502 -179.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.572 ' N ' ' O ' ' A' ' 115' ' ' GLN . 93.7 mt-10 41.01 -163.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.572 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 73.8 m-70 -65.03 -43.69 91.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.589 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 59.7 m80 -87.47 119.89 28.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.571 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -61.49 -44.21 97.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.59 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -116.23 124.67 50.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.573 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 67.9 m80 -74.86 147.53 41.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.578 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 . . . . . 0 C--O 1.221 -0.423 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.587 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . 0.745 ' H51' ' O ' ' A' ' 48' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.659 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -53.63 -26.59 22.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.78 0.324 . . . . 0.0 110.632 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.739 ' OE1' ' H52' ' A' ' 1' ' ' MYR . 92.2 mt-10 -49.47 -20.19 0.68 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.374 179.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 40.3 tp -44.44 -29.01 0.63 Allowed 'General case' 0 C--O 1.239 0.542 0 CA-C-O 121.257 0.551 . . . . 0.0 110.465 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 t -55.11 -28.6 53.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.258 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.785 HE22 HH11 ' A' ' 10' ' ' ARG . 67.5 tp60 -57.2 -46.64 82.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.388 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.644 ' CE1' H101 ' A' ' 1' ' ' MYR . 85.8 m-70 -59.39 -47.85 83.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.132 179.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -50.26 -34.14 22.17 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.142 0.496 . . . . 0.0 110.297 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.785 HH11 HE22 ' A' ' 7' ' ' GLN . 53.7 ttp180 -79.33 -49.93 11.66 Favored 'General case' 0 C--O 1.215 -0.737 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.453 179.143 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.476 ' CD2' H122 ' A' ' 1' ' ' MYR . 43.0 t80 -52.98 -41.75 64.89 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.089 0.471 . . . . 0.0 110.35 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.422 HG12 ' N ' ' A' ' 13' ' ' GLU . 3.2 t -62.2 -60.58 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.271 -179.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.422 ' N ' HG12 ' A' ' 12' ' ' VAL . 78.8 tt0 -69.08 -45.35 70.54 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.301 -178.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.56 ' O ' ' N ' ' A' ' 17' ' ' GLN . 65.0 tp60 -65.22 -77.22 0.06 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.613 -179.051 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.723 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -34.7 -46.0 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.611 -178.678 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.586 ' HZ2' ' CD1' ' A' ' 31' ' ' LEU . 69.8 mttt -53.52 -43.99 68.79 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.605 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.56 ' N ' ' O ' ' A' ' 14' ' ' GLN . 86.2 mt-30 -60.9 -54.66 42.37 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.078 0.466 . . . . 0.0 109.814 178.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.508 ' O ' HG23 ' A' ' 21' ' ' THR . . . -56.21 -14.75 2.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.497 178.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.612 HD22 HG21 ' A' ' 24' ' ' VAL . 3.4 mt -88.41 -50.98 5.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.987 178.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -43.01 -42.64 3.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.673 -179.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.508 HG23 ' O ' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -58.72 -31.13 68.0 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.684 179.772 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 19' ' ' LEU . 79.1 mmt-85 -71.17 -8.08 51.06 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.577 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.49 21.08 8.14 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.67 HG12 ' N ' ' A' ' 25' ' ' LYS . 21.2 t -103.39 171.54 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.678 0.275 . . . . 0.0 110.611 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.67 ' N ' HG12 ' A' ' 24' ' ' VAL . 60.4 mttp -115.33 144.85 43.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.393 179.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.779 ' O ' HG23 ' A' ' 26' ' ' VAL . 18.8 m -124.0 84.25 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 121.102 0.477 . . . . 0.0 110.576 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.7 pttt -108.3 166.15 10.97 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.812 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.489 ' CZ ' HD21 ' A' ' 32' ' ' LEU . 75.7 t80 -55.83 -37.32 68.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.107 0.48 . . . . 0.0 110.625 179.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.12 -21.79 59.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.673 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -71.59 -40.83 69.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.794 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.586 ' CD1' ' HZ2' ' A' ' 16' ' ' LYS . 4.3 mp -63.94 -40.8 97.28 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-O 121.126 0.489 . . . . 0.0 110.269 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.489 HD21 ' CZ ' ' A' ' 28' ' ' TYR . 46.1 mt -58.22 -53.52 57.35 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.429 -0.508 . . . . 0.0 111.092 -178.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -75.24 -53.72 8.31 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.13 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.417 ' O ' HG22 ' A' ' 38' ' ' VAL . 54.7 t80 -55.64 -42.1 74.52 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.47 -177.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.482 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 5.3 t80 -72.07 -44.19 63.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.125 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -74.73 -22.59 58.73 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 121.018 0.437 . . . . 0.0 110.676 -179.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -64.23 -53.56 47.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.765 -178.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' A' ' 42' ' ' CYS . 3.8 m -74.75 -37.16 42.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.007 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -56.65 -31.24 64.19 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.535 -179.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -43.53 -63.75 0.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.856 -179.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 46.3 p -114.69 -5.93 12.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.853 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.517 ' N ' ' O ' ' A' ' 38' ' ' VAL . 3.9 m 48.04 63.86 9.57 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.14 0.495 . . . . 0.0 110.631 -178.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.627 ' C ' ' H ' ' A' ' 45' ' ' PHE . 8.4 Cg_exo -70.77 -20.88 29.52 Favored 'Trans proline' 0 C--N 1.302 -1.868 0 C-N-CA 123.034 2.489 . . . . 0.0 112.291 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.692 ' CE2' H141 ' A' ' 1' ' ' MYR . 0.1 OUTLIER -64.8 27.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.691 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.627 ' H ' ' C ' ' A' ' 43' ' ' PRO . 0.1 OUTLIER 58.28 93.68 0.05 OUTLIER Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.215 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -75.78 -10.53 19.99 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.819 2.346 . . . . 0.0 112.25 -178.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -84.29 -56.86 3.42 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.745 ' O ' ' H51' ' A' ' 1' ' ' MYR . 19.7 pt-20 -90.49 -30.7 17.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.813 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.552 ' O ' ' H71' ' A' ' 1' ' ' MYR . . . 75.16 62.71 2.69 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.711 -0.956 . . . . 0.0 110.711 -179.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.1 t -139.99 170.28 16.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.855 0.36 . . . . 0.0 110.752 -179.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.456 HG23 ' NE1' ' A' ' 44' ' ' TRP . 1.2 mt -83.19 142.66 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.318 179.421 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.419 ' C ' ' OD2' ' A' ' 52' ' ' ASP . 56.6 t0 -140.31 121.72 15.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.089 0.471 . . . . 0.0 110.362 179.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 36.6 mm -71.22 -41.73 75.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.069 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -60.8 -56.87 16.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.239 -178.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.469 ' NH1' ' CZ ' ' A' ' 45' ' ' PHE . 92.9 mtt180 -62.49 -34.0 75.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.699 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.541 ' NE1' ' NE1' ' A' ' 83' ' ' TRP . 44.8 t-105 -57.52 -39.51 76.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.091 0.472 . . . . 0.0 110.649 -179.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -66.47 -37.55 85.35 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.389 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.481 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 60.3 ttt85 -60.43 -53.14 61.15 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.842 -179.385 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.4 p -63.26 -37.5 79.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.58 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -63.33 -47.59 86.38 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -71.99 -36.28 69.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.81 0.338 . . . . 0.0 110.783 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.481 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 85.5 m -64.5 -37.85 88.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.8 -179.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -84.98 -39.47 18.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.907 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -63.9 -39.74 94.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.335 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.692 ' O ' HG23 ' A' ' 69' ' ' THR . 11.5 t0 -66.74 -51.61 53.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.544 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.477 ' O ' ' OG1' ' A' ' 69' ' ' THR . 71.1 t80 -63.34 -40.07 96.28 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.537 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.421 ' CE2' ' CG ' ' A' ' 72' ' ' PRO . 59.9 t80 -69.9 -38.34 76.27 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.722 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.504 ' O ' ' N ' ' A' ' 71' ' ' GLY . 34.9 t30 -64.09 -40.04 95.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.054 -178.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.692 HG23 ' O ' ' A' ' 65' ' ' ASP . 55.1 p -48.4 -20.44 0.41 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.846 -179.106 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -92.27 14.87 15.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.786 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 40.48 60.11 2.12 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.466 ' O ' HG23 ' A' ' 75' ' ' VAL . 58.6 Cg_endo -78.7 129.35 9.13 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 122.793 2.329 . . . . 0.0 112.22 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.5 tp10 -87.8 -27.12 22.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.641 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.519 ' O ' ' C ' ' A' ' 75' ' ' VAL . 54.7 mmtt -64.37 -47.29 79.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.86 -178.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.519 ' C ' ' O ' ' A' ' 74' ' ' LYS . 73.7 t 25.74 82.49 0.18 Allowed Pre-proline 0 C--O 1.232 0.165 0 O-C-N 123.793 0.683 . . . . 0.0 110.78 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.02 125.95 19.93 Favored 'Trans proline' 0 C--N 1.308 -1.574 0 C-N-CA 122.598 2.199 . . . . 0.0 111.761 -179.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 67.0 t -82.09 -26.64 9.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.785 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.432 HG23 ' H ' ' A' ' 78' ' ' THR . 19.6 p -44.28 -31.02 0.9 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.303 -179.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.23 -31.62 65.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.019 0.438 . . . . 0.0 110.79 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -66.66 -40.09 88.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.972 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 71.3 m -60.6 -40.05 90.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.634 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.517 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 17.5 m-85 -60.01 -46.37 89.69 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.615 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.541 ' NE1' ' NE1' ' A' ' 56' ' ' TRP . 10.3 m0 -55.45 -48.36 74.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.112 -179.26 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -64.99 -41.76 95.11 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.307 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.658 HD23 HD11 ' A' ' 15' ' ' LEU . 53.5 tp -69.89 -58.36 3.96 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.102 -179.112 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -55.69 -39.16 53.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.918 0.39 . . . . 0.0 110.333 179.389 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 64.9 tttt -53.14 -48.94 67.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.548 -178.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.84 -17.23 38.68 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.246 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 89' ' ' LEU . 29.5 tp -60.59 -42.27 96.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.485 -176.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 28.7 mt -60.38 -42.48 91.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.469 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -74.55 -5.44 42.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.556 -179.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -67.83 -5.95 19.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.721 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt 63.08 7.85 2.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.569 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -96.88 55.38 1.35 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.679 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 1.3 m -83.71 174.17 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.636 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.461 ' O ' ' N ' ' A' ' 98' ' ' GLN . 0.5 OUTLIER -111.58 167.0 9.74 Favored Pre-proline 0 C--N 1.331 -0.203 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.75 -179.906 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.511 ' C ' ' H ' ' A' ' 99' ' ' VAL . 78.3 Cg_exo -43.89 -16.44 0.1 OUTLIER 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 122.832 2.354 . . . . 0.0 112.179 179.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.473 ' OE1' ' O ' ' A' ' 49' ' ' GLY . 3.9 pt20 -46.96 -12.78 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.482 179.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.813 ' O ' HG23 ' A' ' 103' ' ' VAL . 77.8 t -58.86 -49.04 84.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.34 -178.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 60.7 mtt -62.38 -47.08 85.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.993 0.425 . . . . 0.0 110.554 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -70.51 -17.51 62.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.661 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.426 ' CB ' ' OE2' ' A' ' 48' ' ' GLU . . . -89.96 -27.86 19.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.889 -179.576 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.813 HG23 ' O ' ' A' ' 99' ' ' VAL . 65.6 t -59.77 -45.67 94.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.321 -179.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.44 ' O ' ' O ' ' A' ' 105' ' ' GLN . . . -53.9 -36.95 63.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.604 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.44 ' O ' ' O ' ' A' ' 104' ' ' ALA . 58.3 tt0 33.97 92.05 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 O-C-N 123.474 0.484 . . . . 0.0 110.547 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 87.5 m -118.86 126.44 51.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.479 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.529 ' N ' ' OE2' ' A' ' 107' ' ' GLU . 43.3 mp0 -101.01 142.72 32.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.475 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -68.76 134.72 50.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.434 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 45.7 pt -57.32 -24.26 21.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.543 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 96.5 mt -64.61 -38.96 92.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.395 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -99.53 124.95 45.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.592 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 17.9 p -90.38 -171.44 3.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.426 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 -58.01 -43.65 86.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.502 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.3 p -106.07 179.22 4.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.521 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 56.03 -158.81 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.607 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.648 HG23 ' H ' ' A' ' 118' ' ' LEU . 13.0 t -134.03 -158.04 0.85 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.658 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.423 ' OD2' ' O ' ' A' ' 117' ' ' ASP . 62.2 t0 -56.75 -39.45 74.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.389 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.648 ' H ' HG23 ' A' ' 116' ' ' THR . 43.8 tp -107.72 125.43 51.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.462 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -66.79 125.89 27.29 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 120.852 0.358 . . . . 0.0 110.528 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -66.03 -41.27 91.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.693 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 55.4 m80 -110.19 141.66 42.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.636 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -104.46 123.72 47.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.365 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -59.61 -46.08 90.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.497 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -111.94 130.45 55.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.487 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.526 ' CG ' ' O ' ' A' ' 125' ' ' HIS . 65.5 t60 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.957 -1.02 . . . . 0.0 110.533 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . 0.786 H122 ' CD2' ' A' ' 11' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.677 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -46.26 -21.7 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 110.59 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.572 ' HG3' ' H32' ' A' ' 1' ' ' MYR . 69.1 mm-40 -49.46 -20.32 0.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.604 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 38.2 tp -46.59 -31.64 2.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.611 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.3 m -55.82 -35.92 66.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.552 179.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.55 ' NE2' ' OE1' ' A' ' 4' ' ' GLU . 89.3 mt-30 -55.99 -41.8 75.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.584 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -57.3 -51.39 69.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.638 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -48.01 -36.88 13.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.601 177.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 93.0 mtt-85 -77.84 -48.83 15.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.562 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.786 ' CD2' H122 ' A' ' 1' ' ' MYR . 66.3 t80 -47.29 -44.98 23.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.496 178.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.3 t -61.51 -53.84 43.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.521 -178.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -67.3 -45.6 76.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.584 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.667 ' O ' ' N ' ' A' ' 17' ' ' GLN . 68.2 tp60 -65.63 -78.74 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.563 -179.176 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.639 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -30.23 -48.76 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.612 -179.765 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.773 ' HZ1' ' HG ' ' A' ' 31' ' ' LEU . 62.1 mttt -60.88 -41.09 95.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.629 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.667 ' N ' ' O ' ' A' ' 14' ' ' GLN . 75.5 mt-30 -66.33 -59.93 3.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.547 178.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.498 ' O ' ' CG2' ' A' ' 21' ' ' THR . . . -49.69 -15.94 0.21 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.568 177.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.591 HD22 HG21 ' A' ' 24' ' ' VAL . 5.3 mt -88.13 -50.01 6.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.595 178.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -42.47 -38.12 1.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.58 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 18' ' ' ALA . 1.2 t -64.01 -32.06 73.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.56 -179.387 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 19' ' ' LEU . 24.9 mmm-85 -72.52 -6.52 44.47 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.532 -179.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 106.86 25.72 6.08 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.601 HG12 ' N ' ' A' ' 25' ' ' LYS . 15.0 t -106.75 169.1 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.727 0.299 . . . . 0.0 110.601 179.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.601 ' N ' HG12 ' A' ' 24' ' ' VAL . 68.7 mttm -115.62 144.54 43.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.568 178.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.783 ' O ' HG23 ' A' ' 26' ' ' VAL . 22.2 m -122.6 85.11 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.522 -178.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.529 ' HD3' ' H ' ' A' ' 29' ' ' ALA . 11.8 tmtt? -110.12 161.99 15.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.572 178.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.561 ' CZ ' HD21 ' A' ' 32' ' ' LEU . 72.4 t80 -52.14 -30.84 28.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.534 -179.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.529 ' H ' ' HD3' ' A' ' 27' ' ' LYS . . . -61.81 -23.1 66.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.587 179.679 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.444 ' CB ' ' HZ3' ' A' ' 16' ' ' LYS . 88.3 m-20 -73.01 -41.91 63.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.559 -178.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.773 ' HG ' ' HZ1' ' A' ' 16' ' ' LYS . 2.8 mp -60.01 -43.74 95.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.589 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.561 HD21 ' CZ ' ' A' ' 28' ' ' TYR . 62.3 mt -49.58 -66.59 0.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.61 -179.188 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.504 ' O ' ' N ' ' A' ' 37' ' ' PHE . 87.8 tttt -69.52 -54.07 16.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.58 -178.147 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.439 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 63.4 t80 -52.1 -45.76 64.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.541 -176.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.532 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 20.5 t80 -68.62 -42.46 78.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.57 -177.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -77.33 -20.78 54.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.624 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.504 ' N ' ' O ' ' A' ' 33' ' ' LYS . 77.9 t80 -61.93 -48.84 78.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.567 -178.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.538 ' O ' ' N ' ' A' ' 42' ' ' CYS . 2.9 m -80.01 -33.0 14.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.547 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.447 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 79.6 tttt -56.8 -33.39 66.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.503 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -42.27 -62.9 0.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.595 -179.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.5 p -116.33 -0.29 12.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.535 -179.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.552 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 20.0 m 40.13 61.99 6.05 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.502 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.593 ' C ' ' H ' ' A' ' 45' ' ' PHE . 8.0 Cg_exo -71.25 -18.67 30.11 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.757 2.305 . . . . 0.0 112.168 -179.455 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.57 ' NE1' H142 ' A' ' 1' ' ' MYR . 0.0 OUTLIER -68.55 28.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.564 -178.835 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.628 ' O ' ' N ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER 54.01 91.85 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.587 179.344 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -54.92 -36.35 91.69 Favored 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.826 2.351 . . . . 0.0 112.141 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -85.46 -43.57 13.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.551 -178.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.615 ' O ' ' H51' ' A' ' 1' ' ' MYR . 0.4 OUTLIER -85.46 -17.69 35.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.592 -178.559 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.628 ' N ' ' O ' ' A' ' 45' ' ' PHE . . . 43.67 23.31 0.33 Allowed Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -178.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.507 HG22 ' HB3' ' A' ' 48' ' ' GLU . 7.1 t -98.36 171.77 7.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.778 0.323 . . . . 0.0 110.577 -179.319 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.7 mt -90.13 141.6 14.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.545 178.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -135.29 120.29 18.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.58 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 26.9 mm -72.72 -41.29 62.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.571 -179.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -62.78 -54.69 35.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.584 -177.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 -66.1 -34.38 77.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.516 -179.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 41.1 t-105 -58.66 -36.96 74.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.561 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 77.4 mtp85 -67.86 -38.59 83.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.541 178.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.503 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 77.3 mtp85 -59.56 -52.0 67.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.604 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.2 p -63.57 -38.31 81.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.556 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -64.27 -50.21 61.35 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -69.58 -37.4 76.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.73 0.3 . . . . 0.0 110.5 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.503 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 68.1 m -62.15 -39.93 94.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.545 -179.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -82.89 -40.88 19.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.565 -179.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -63.63 -40.54 97.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.614 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.523 ' O ' HG23 ' A' ' 69' ' ' THR . 40.4 t0 -65.52 -50.99 63.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.615 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.428 ' O ' ' OG1' ' A' ' 69' ' ' THR . 61.1 t80 -63.83 -41.48 97.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.609 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -65.08 -38.85 92.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.563 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.541 ' O ' ' N ' ' A' ' 71' ' ' GLY . 90.5 m-20 -61.02 -41.4 96.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.554 -178.257 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.523 HG23 ' O ' ' A' ' 65' ' ' ASP . 81.0 p -46.82 -21.43 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.534 -178.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -89.93 15.67 9.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.601 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 38.65 59.44 1.62 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.396 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.435 ' O ' HG23 ' A' ' 75' ' ' VAL . 58.0 Cg_endo -78.07 132.61 11.71 Favored 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 122.804 2.336 . . . . 0.0 112.111 -179.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -89.38 -34.12 16.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.624 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.57 ' O ' ' C ' ' A' ' 75' ' ' VAL . 23.6 mtpt -59.93 -48.02 83.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.543 -178.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.57 ' C ' ' O ' ' A' ' 74' ' ' LYS . 72.0 t 24.11 84.87 0.11 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.572 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -56.93 124.23 15.74 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.881 2.387 . . . . 0.0 112.081 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 84.6 t -83.5 -22.86 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.599 -179.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 28.1 p -45.31 -27.34 0.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.56 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.27 -29.74 64.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.511 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.543 ' CE2' ' ND2' ' A' ' 84' ' ' ASN . 79.5 t80 -63.6 -38.98 93.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.59 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.1 m -66.59 -38.94 88.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.584 -178.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.512 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 6.5 m-85 -54.65 -52.13 63.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.569 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.577 ' CD1' ' N ' ' A' ' 83' ' ' TRP . 7.8 m0 -59.82 -41.94 92.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.545 -178.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.543 ' ND2' ' CE2' ' A' ' 80' ' ' PHE . 67.4 m-20 -66.23 -44.7 83.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.574 -178.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.406 ' HA ' HD12 ' A' ' 85' ' ' LEU . 56.9 tp -68.46 -53.85 20.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.578 -178.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.4 mt -60.28 -40.67 84.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.592 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -49.44 -50.69 39.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.532 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.438 ' C ' ' CD ' ' A' ' 88' ' ' GLU . 0.8 OUTLIER -85.4 -18.69 32.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.513 -178.469 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.423 ' HA ' HD12 ' A' ' 89' ' ' LEU . 41.7 tp -56.55 -42.36 78.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.629 -177.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 23.4 mt -62.45 -42.8 97.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.495 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -67.37 -11.11 56.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.518 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.588 ' O ' HG13 ' A' ' 95' ' ' VAL . 70.0 tttt -64.55 130.6 44.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.596 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -58.77 -30.04 67.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.553 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -72.33 54.96 0.32 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.589 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.588 HG13 ' O ' ' A' ' 92' ' ' LYS . 34.9 m -81.59 179.62 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.577 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.637 HD21 ' HB3' ' A' ' 98' ' ' GLN . 0.0 OUTLIER -131.37 161.08 64.15 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.575 -179.395 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.603 ' N ' ' OD1' ' A' ' 96' ' ' ASN . 73.8 Cg_exo -33.51 -35.53 0.08 OUTLIER 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.896 2.397 . . . . 0.0 112.083 -176.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.637 ' HB3' HD21 ' A' ' 96' ' ' ASN . 10.4 pt20 -45.77 -13.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.551 -179.046 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 96' ' ' ASN . 75.9 t -62.14 -46.87 95.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.535 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 73.7 mtm -65.74 -35.75 81.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.518 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.479 ' O ' ' CG ' ' A' ' 48' ' ' GLU . . . -83.78 -20.34 33.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.578 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 98' ' ' GLN . . . -70.66 -49.73 44.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.582 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 44.3 t -49.89 -19.17 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.603 178.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.77 -39.51 89.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.527 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 42.69 -134.66 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.602 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 15.4 m -63.72 -49.0 74.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.552 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -140.51 158.6 43.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.531 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -79.02 126.22 30.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.554 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.408 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 41.1 pt -54.21 -26.86 15.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.572 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 95.6 mt -61.93 -40.67 96.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.579 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -67.85 -40.82 83.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.541 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 67.2 p -64.72 -43.65 92.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.637 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.408 ' ND2' ' O ' ' A' ' 109' ' ' ILE . 74.4 m-20 -62.31 -39.74 94.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.546 179.492 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 30.0 p -161.15 158.63 27.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.579 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.447 ' O ' ' O ' ' A' ' 118' ' ' LEU . 28.4 pt20 -103.24 16.07 27.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.59 -179.359 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.418 ' O ' ' OE2' ' A' ' 119' ' ' GLU . 5.9 m -62.2 -45.15 94.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.504 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -64.71 -40.13 94.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.577 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' A' ' 115' ' ' GLN . 87.4 mt -123.0 121.1 35.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.504 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.536 ' OE1' ' N ' ' A' ' 119' ' ' GLU . 53.0 mp0 -106.38 129.86 54.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.54 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -113.68 126.33 55.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.551 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 54.9 m80 -114.0 149.67 35.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.589 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.447 ' O ' ' CE1' ' A' ' 125' ' ' HIS . 14.9 m80 -73.82 -35.57 64.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.613 179.07 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -56.48 -40.21 74.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.573 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.49 ' O ' ' OXT' ' A' ' 125' ' ' HIS . 9.3 m-70 -67.52 -38.27 84.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.572 179.184 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.49 ' OXT' ' O ' ' A' ' 124' ' ' HIS . 29.1 m80 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.523 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . 0.675 ' H32' ' OE2' ' A' ' 4' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.755 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.514 ' O ' ' N ' ' A' ' 5' ' ' LEU . 98.6 mm-40 -58.63 -37.55 76.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.936 0.398 . . . . 0.0 110.455 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.675 ' OE2' ' H32' ' A' ' 1' ' ' MYR . 97.7 mt-10 -42.46 -20.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.077 179.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' A' ' 3' ' ' GLN . 53.4 tp -41.78 -31.97 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.098 -179.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.2 p -61.91 -35.38 78.19 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.079 0.466 . . . . 0.0 110.282 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.519 ' N ' ' O ' ' A' ' 4' ' ' GLU . 51.5 tt0 -53.32 -41.86 66.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.042 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.514 ' ND1' ' CE1' ' A' ' 35' ' ' PHE . 10.6 t-160 -65.26 -43.97 89.6 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -54.13 -24.4 17.69 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.394 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.404 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 84.0 mtp180 -81.86 -52.09 7.45 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.155 179.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.591 ' CE2' HD23 ' A' ' 15' ' ' LEU . 47.0 t80 -59.37 -36.54 75.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.272 0.558 . . . . 0.0 110.051 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.9 t -65.02 -56.55 15.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 C-N-CA 120.356 -0.538 . . . . 0.0 111.266 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -70.58 -30.38 67.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.865 0.364 . . . . 0.0 111.398 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 17' ' ' GLN . 69.3 tp60 -77.02 -72.98 0.32 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.747 -179.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.591 HD23 ' CE2' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -41.72 -43.61 2.93 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -178.301 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.424 ' HB3' HG11 ' A' ' 26' ' ' VAL . 97.2 mttt -62.86 -43.36 99.0 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.201 -0.6 . . . . 0.0 110.924 179.244 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 14' ' ' GLN . 1.0 OUTLIER -50.05 -51.45 42.34 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-O 121.824 0.821 . . . . 0.0 110.165 -179.223 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.536 ' O ' HG22 ' A' ' 21' ' ' THR . . . -60.46 -58.13 9.78 Favored 'General case' 0 C--O 1.212 -0.89 0 C-N-CA 120.149 -0.62 . . . . 0.0 109.792 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.624 HD13 ' CZ ' ' A' ' 82' ' ' TYR . 5.3 mt -41.19 -47.48 3.31 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 123.61 0.568 . . . . 0.0 109.949 -179.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -49.61 -34.47 18.1 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.536 HG22 ' O ' ' A' ' 18' ' ' ALA . 0.7 OUTLIER -60.9 -33.21 72.78 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.081 179.334 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.2 mmt85 -73.25 11.3 0.77 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.465 -179.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.442 ' H ' ' C ' ' A' ' 21' ' ' THR . . . 95.43 -6.51 68.25 Favored Glycine 0 N--CA 1.465 0.611 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.545 HG12 ' N ' ' A' ' 25' ' ' LYS . 11.4 t -70.44 168.69 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 120.931 -0.308 . . . . 0.0 110.46 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.545 ' N ' HG12 ' A' ' 24' ' ' VAL . 51.2 tttp -123.56 130.6 52.91 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.175 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.742 ' O ' HG23 ' A' ' 26' ' ' VAL . 20.2 m -120.29 102.99 13.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 CA-C-O 121.12 0.486 . . . . 0.0 110.674 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.465 ' HD2' ' HB3' ' A' ' 29' ' ' ALA . 40.6 pttt -109.65 164.73 12.27 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.977 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.457 ' CE2' HD21 ' A' ' 32' ' ' LEU . 79.5 t80 -56.74 -36.12 69.39 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.242 0.544 . . . . 0.0 110.378 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.465 ' HB3' ' HD2' ' A' ' 27' ' ' LYS . . . -59.31 -22.45 61.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.943 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -72.46 -36.16 68.43 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.478 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.7 mp -68.21 -40.12 82.21 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.475 0.655 . . . . 0.0 110.048 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.457 HD21 ' CE2' ' A' ' 28' ' ' TYR . 39.6 mt -60.87 -39.98 91.24 Favored 'General case' 0 C--N 1.313 -1.011 0 C-N-CA 119.955 -0.698 . . . . 0.0 111.261 -179.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -85.26 -49.18 8.4 Favored 'General case' 0 C--O 1.215 -0.733 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.859 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.448 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 82.2 t80 -61.65 -39.28 90.77 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.106 0.479 . . . . 0.0 112.247 -179.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.514 ' CE1' ' ND1' ' A' ' 8' ' ' HIS . 1.8 t80 -76.13 -51.62 11.82 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.554 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -64.07 -30.4 71.47 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 121.099 0.476 . . . . 0.0 110.94 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -59.88 -49.7 76.65 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.845 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.582 ' O ' ' N ' ' A' ' 42' ' ' CYS . 0.0 OUTLIER -66.7 -35.72 75.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.169 -0.612 . . . . 0.0 110.675 179.833 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.5 mttt -52.71 -34.7 53.6 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.792 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -46.02 -64.19 0.8 Allowed 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.496 -0.482 . . . . 0.0 111.438 -179.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.2 p -111.98 -25.22 9.5 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.944 0.402 . . . . 0.0 111.383 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.582 ' N ' ' O ' ' A' ' 38' ' ' VAL . 1.3 m 57.39 50.44 4.3 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-O 121.374 0.607 . . . . 0.0 110.253 -179.381 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.529 ' C ' ' H ' ' A' ' 45' ' ' PHE . 62.2 Cg_endo -78.83 -21.17 9.89 Favored 'Trans proline' 0 C--N 1.308 -1.564 0 C-N-CA 122.129 1.886 . . . . 0.0 112.635 -179.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.626 ' CZ3' ' CZ3' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -71.1 23.66 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.291 -179.614 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.529 ' H ' ' C ' ' A' ' 43' ' ' PRO . 10.0 m-85 40.67 74.82 0.67 Allowed Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.532 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.657 ' O ' ' H71' ' A' ' 1' ' ' MYR . 40.9 Cg_endo -75.53 -11.23 20.55 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.545 2.163 . . . . 0.0 112.202 -179.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.517 ' O ' ' H51' ' A' ' 1' ' ' MYR . 86.7 mt-30 -66.8 -56.37 10.75 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.471 -0.491 . . . . 0.0 110.466 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.454 ' O ' ' OE1' ' A' ' 98' ' ' GLN . 12.2 pt-20 -94.1 -14.71 25.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.022 0.439 . . . . 0.0 110.299 178.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.525 ' O ' ' NE2' ' A' ' 98' ' ' GLN . . . 65.06 71.6 0.85 Allowed Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.461 ' CA ' HE22 ' A' ' 98' ' ' GLN . 8.9 t -125.61 169.32 12.6 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 110.476 -0.194 . . . . 0.0 110.476 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -113.0 142.62 24.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.779 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -144.25 121.6 11.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.685 0.279 . . . . 0.0 110.315 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 25.4 mm -71.01 -41.13 76.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.891 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -63.62 -58.31 7.34 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.83 -178.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -63.33 -35.9 81.92 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.508 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.626 ' CZ3' ' CZ3' ' A' ' 44' ' ' TRP . 21.5 t-105 -58.66 -40.18 82.75 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.952 -179.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 79.6 ttt-85 -65.2 -39.54 92.96 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.024 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.527 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 95.5 mtt-85 -58.76 -53.17 61.38 Favored 'General case' 0 C--O 1.226 -0.161 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.293 -179.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.7 p -64.47 -36.48 77.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.688 179.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.55 -54.11 36.5 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 120.628 -0.796 . . . . 0.0 111.748 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -70.49 -36.88 74.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.871 0.367 . . . . 0.0 111.13 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.527 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 91.0 m -63.1 -40.46 97.72 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.426 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -85.04 -46.32 11.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.303 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -60.21 -27.79 67.46 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.811 -179.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.827 ' O ' HG23 ' A' ' 69' ' ' THR . 26.9 t0 -76.63 -58.25 3.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.9 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.432 ' O ' ' OG1' ' A' ' 69' ' ' THR . 22.9 m-85 -64.43 -40.5 95.88 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.069 0.461 . . . . 0.0 111.493 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -62.98 -47.11 84.56 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -64.21 -39.25 93.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.743 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.827 HG23 ' O ' ' A' ' 65' ' ' ASP . 51.5 p -58.25 -24.84 60.68 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.105 -179.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -115.34 8.07 15.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.251 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -148.93 -160.31 9.03 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -64.97 141.01 68.74 Favored 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 123.338 2.692 . . . . 0.0 111.757 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -82.33 -37.16 26.14 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.066 0.46 . . . . 0.0 110.027 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.561 ' O ' ' O ' ' A' ' 75' ' ' VAL . 35.8 mmtt -72.01 -45.94 59.01 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.637 -178.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.561 ' O ' ' O ' ' A' ' 74' ' ' LYS . 0.1 OUTLIER 44.04 169.95 0.0 OUTLIER Pre-proline 0 CA--C 1.546 0.794 0 O-C-N 124.543 1.152 . . . . 0.0 111.857 179.496 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -57.44 124.82 17.02 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 120.567 0.845 . . . . 0.0 111.446 178.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.408 ' O ' HG12 ' A' ' 77' ' ' VAL . 46.5 t -84.99 -14.78 11.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.136 179.171 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 47.1 p -44.49 -24.7 0.2 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.059 0.457 . . . . 0.0 110.67 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.414 ' O ' ' CE2' ' A' ' 83' ' ' TRP . . . -58.87 -17.43 23.96 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.877 179.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -66.74 -42.33 86.4 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.175 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.4 m -61.9 -39.33 91.6 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 120.868 0.366 . . . . 0.0 110.756 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.624 ' CZ ' HD13 ' A' ' 19' ' ' LEU . 14.5 m-85 -59.32 -50.16 75.04 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.94 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.594 ' CD1' ' N ' ' A' ' 83' ' ' TRP . 6.7 m0 -58.1 -40.84 82.2 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.764 -0.374 . . . . 0.0 111.278 -179.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -64.5 -46.13 84.31 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.763 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 60.5 tp -69.8 -51.87 30.02 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.753 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -59.8 -35.44 60.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 C-N-CA 120.602 -0.439 . . . . 0.0 109.9 -179.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 68.8 tttt -58.19 -45.85 86.83 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.56 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -84.59 -17.54 38.43 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.76 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 30.3 tp -64.15 -43.21 95.92 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -176.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 7.3 mt -62.54 -42.47 95.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.765 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -49.25 -34.07 14.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.364 -178.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -68.43 138.07 55.0 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.261 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -92.7 -3.63 54.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -87.28 15.29 6.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.544 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 1.6 t -111.38 90.42 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.668 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.558 ' O ' HG23 ' A' ' 99' ' ' VAL . 7.0 p-10 -125.6 78.87 68.25 Favored Pre-proline 0 N--CA 1.453 -0.3 0 C-N-CA 119.865 -0.734 . . . . 0.0 110.2 178.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -79.64 -30.39 2.44 Favored 'Trans proline' 0 C--N 1.314 -1.253 0 C-N-CA 123.115 2.544 . . . . 0.0 111.92 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.525 ' NE2' ' O ' ' A' ' 49' ' ' GLY . 39.8 mm-40 -50.34 -22.71 1.94 Allowed 'General case' 0 C--O 1.218 -0.602 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.101 -179.077 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 96' ' ' ASN . 63.1 t -43.31 -65.83 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 C-N-CA 120.205 -0.598 . . . . 0.0 111.821 -178.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.431 ' O ' ' OE1' ' A' ' 4' ' ' GLU . 88.2 mmm -82.81 -42.01 18.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.284 0.564 . . . . 0.0 112.075 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.449 ' HB1' ' H51' ' A' ' 1' ' ' MYR . . . -58.43 -18.18 26.41 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.767 -179.171 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.454 ' CB ' ' O ' ' A' ' 98' ' ' GLN . . . -90.69 -5.63 55.53 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.994 0.426 . . . . 0.0 110.8 179.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.554 ' O ' HG12 ' A' ' 103' ' ' VAL . 97.7 t -77.69 -5.83 8.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.051 179.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.543 ' N ' ' OE1' ' A' ' 4' ' ' GLU . . . -63.11 -33.38 75.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.157 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.465 ' C ' ' O ' ' A' ' 104' ' ' ALA . 89.4 mt-30 28.53 89.6 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.272 0 O-C-N 124.252 0.97 . . . . 0.0 110.619 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 82.0 p -80.17 167.59 20.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.568 -179.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -134.97 154.11 51.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.462 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -71.09 130.33 41.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.036 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 43.7 pt -55.23 -23.96 14.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.017 0.436 . . . . 0.0 110.509 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 97.5 mt -63.73 -41.11 98.1 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.2 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -67.36 -39.23 85.71 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.679 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 88.5 p -60.38 -46.21 90.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.753 -179.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -66.64 -42.63 86.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.507 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.553 ' OG ' HG23 ' A' ' 116' ' ' THR . 5.3 t -158.47 135.27 9.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.441 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -87.97 36.02 0.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.503 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.553 HG23 ' OG ' ' A' ' 114' ' ' SER . 73.7 p -69.54 -39.75 77.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.795 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -60.92 -47.31 87.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.181 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 80.5 mt -133.66 143.78 48.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.423 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -119.81 179.83 4.13 Favored 'General case' 0 C--N 1.333 -0.129 0 O-C-N 123.207 0.317 . . . . 0.0 110.184 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 48.8 m80 -121.59 138.06 54.48 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.383 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -108.89 133.0 53.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.286 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -110.44 136.75 49.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.518 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -129.23 147.19 51.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.772 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -65.79 -41.19 92.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.676 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 73.8 m80 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.654 179.907 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . 0.666 ' H62' ' OG ' ' A' ' 6' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.475 ' O ' ' OG ' ' A' ' 6' ' ' SER . . . . . . . . 0 CA--C 1.524 0.604 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -41.47 -59.53 1.56 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.894 0.378 . . . . 0.0 110.673 -179.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 5' ' ' LEU . 95.3 mt-10 -84.05 -65.27 1.03 Allowed 'General case' 0 CA--C 1.509 -0.627 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.835 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.693 HD13 ' N ' ' A' ' 6' ' ' SER . 2.0 tm? -39.5 -65.4 0.39 Allowed 'General case' 0 C--N 1.313 -0.979 0 C-N-CA 120.052 -0.659 . . . . 0.0 110.845 -176.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.693 ' N ' HD13 ' A' ' 5' ' ' LEU . 24.3 p -43.37 -44.62 5.74 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.756 -177.069 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.487 ' O ' ' CB ' ' A' ' 11' ' ' TYR . 44.0 tt0 -48.63 -60.93 2.31 Favored 'General case' 0 C--O 1.214 -0.766 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.076 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 49.6 m170 -52.3 -41.52 63.0 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.387 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -65.51 -62.76 1.34 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.977 -179.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.648 ' CZ ' HD21 ' A' ' 96' ' ' ASN . 95.8 mtt-85 -67.08 -45.96 75.71 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.758 -178.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.487 ' CB ' ' O ' ' A' ' 7' ' ' GLN . 45.8 t80 -49.82 -56.17 11.4 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.157 0.504 . . . . 0.0 110.39 -179.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.49 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 5.7 t -60.77 -61.44 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 C-N-CA 119.862 -0.735 . . . . 0.0 112.182 -179.23 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -58.11 -47.47 83.17 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.609 -0.437 . . . . 0.0 111.941 -178.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.527 ' O ' ' N ' ' A' ' 17' ' ' GLN . 73.0 tp60 -68.29 -75.4 0.1 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.663 -178.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.596 HD23 H142 ' A' ' 1' ' ' MYR . 0.2 OUTLIER -38.33 -48.98 1.38 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 123.671 0.607 . . . . 0.0 110.164 -177.61 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' A' ' 12' ' ' VAL . 25.9 mmtt -62.75 -38.48 90.73 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.813 0.339 . . . . 0.0 110.28 179.031 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.527 ' N ' ' O ' ' A' ' 14' ' ' GLN . 68.4 tp60 -70.42 -59.54 2.8 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.168 179.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.465 ' O ' ' CG2' ' A' ' 21' ' ' THR . . . -44.52 -20.85 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.024 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 22' ' ' ARG . 7.6 mt -85.01 -51.29 6.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.342 178.185 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -44.32 -41.07 5.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.894 -178.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.465 ' CG2' ' O ' ' A' ' 18' ' ' ALA . 0.8 OUTLIER -60.84 -29.94 69.81 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.397 -179.726 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 19' ' ' LEU . 58.0 mtt180 -80.85 14.11 2.34 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.699 -0.401 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.47 25.24 36.7 Favored Glycine 0 N--CA 1.468 0.793 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.609 HG12 ' N ' ' A' ' 25' ' ' LYS . 20.9 t -101.35 169.41 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 121.101 -0.24 . . . . 0.0 110.46 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.609 ' N ' HG12 ' A' ' 24' ' ' VAL . 99.0 mttt -114.66 148.62 37.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.582 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.733 ' O ' HG23 ' A' ' 26' ' ' VAL . 30.6 m -111.37 88.11 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.952 0.406 . . . . 0.0 110.729 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.544 ' HD2' ' HB3' ' A' ' 29' ' ' ALA . 48.9 pttt -109.4 163.19 13.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.88 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -64.99 -37.93 89.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.617 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.544 ' HB3' ' HD2' ' A' ' 27' ' ' LYS . . . -57.81 -25.73 61.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.126 -179.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -72.67 -39.11 67.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.827 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.482 ' O ' ' CB ' ' A' ' 35' ' ' PHE . 0.7 OUTLIER -63.59 -41.85 98.31 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.358 0.599 . . . . 0.0 110.309 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.9 mt -49.82 -56.5 10.16 Favored 'General case' 0 C--N 1.31 -1.124 0 C-N-CA 119.649 -0.82 . . . . 0.0 111.249 -178.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -74.27 -52.16 13.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.717 -178.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.402 ' CB ' ' HZ1' ' A' ' 16' ' ' LYS . 14.3 t80 -59.37 -41.0 88.26 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -178.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.482 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 7.2 t80 -67.91 -46.65 70.97 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.793 178.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -71.85 -21.38 61.68 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.86 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -65.39 -57.76 7.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.828 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.536 ' O ' ' N ' ' A' ' 42' ' ' CYS . 2.5 m -71.18 -38.94 72.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.105 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -53.86 -34.93 60.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.605 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -41.44 -62.53 0.85 Allowed 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.916 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.453 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 12.9 p -114.67 2.13 14.39 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.198 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.536 ' N ' ' O ' ' A' ' 38' ' ' VAL . 11.1 p 36.02 62.45 2.74 Favored Pre-proline 0 N--CA 1.463 0.218 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.601 -178.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.543 ' C ' ' H ' ' A' ' 45' ' ' PHE . 6.8 Cg_exo -70.85 -15.26 33.03 Favored 'Trans proline' 0 C--N 1.309 -1.507 0 C-N-CA 122.987 2.458 . . . . 0.0 112.273 -179.269 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.484 ' NE1' H143 ' A' ' 1' ' ' MYR . 0.9 OUTLIER -70.11 22.6 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.212 0.53 . . . . 0.0 111.258 -179.183 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.543 ' H ' ' C ' ' A' ' 43' ' ' PRO . 2.4 m-85 52.76 91.39 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.183 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -73.59 -6.15 18.25 Favored 'Trans proline' 0 C--N 1.313 -1.301 0 C-N-CA 122.349 2.033 . . . . 0.0 112.416 -179.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -83.0 -57.0 3.47 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.222 -0.591 . . . . 0.0 110.971 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.471 ' OE2' ' O ' ' A' ' 101' ' ' ALA . 8.2 pt-20 -92.95 -17.57 23.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.817 179.055 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.44 ' O ' ' OE1' ' A' ' 98' ' ' GLN . . . 63.49 73.83 0.5 Allowed Glycine 0 CA--C 1.527 0.837 0 N-CA-C 110.328 -1.109 . . . . 0.0 110.328 -178.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.539 ' OG1' ' NE2' ' A' ' 98' ' ' GLN . 6.1 t -150.72 169.74 20.89 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.896 0.379 . . . . 0.0 110.938 -179.371 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.529 HG12 H131 ' A' ' 1' ' ' MYR . 2.0 mt -87.53 151.36 3.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.071 179.311 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -140.35 122.13 15.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.821 0.344 . . . . 0.0 110.288 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.9 mm -70.21 -41.62 78.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.139 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -62.89 -54.37 39.65 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.13 0.491 . . . . 0.0 111.543 -178.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -66.01 -35.68 81.22 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.334 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 35.1 t-105 -55.79 -37.32 68.45 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 121.209 0.528 . . . . 0.0 110.579 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -68.21 -40.25 82.16 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.93 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.434 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 45.9 mtm-85 -60.06 -49.65 76.84 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.56 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.447 HG13 ' N ' ' A' ' 60' ' ' GLY . 4.0 p -66.32 -43.11 91.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 CA-C-O 120.96 0.409 . . . . 0.0 110.41 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.447 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -60.58 -48.92 83.79 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 -179.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.444 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 63.7 t0 -70.46 -38.72 74.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.968 0.413 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.434 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 17.4 m -57.34 -43.47 83.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.695 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -75.97 -35.4 59.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.802 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -62.63 -47.64 82.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.796 -179.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.441 ' O ' HG23 ' A' ' 69' ' ' THR . 20.2 t0 -61.18 -50.88 71.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.728 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -61.37 -44.64 96.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.954 0.407 . . . . 0.0 110.845 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.412 ' CD1' ' HG3' ' A' ' 72' ' ' PRO . 71.0 t80 -62.42 -37.51 86.12 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.477 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.409 ' O ' ' N ' ' A' ' 71' ' ' GLY . 93.3 m-20 -61.91 -39.8 93.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.406 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.441 HG23 ' O ' ' A' ' 65' ' ' ASP . 64.1 p -50.31 -29.56 10.07 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.578 -179.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -79.01 13.3 1.81 Allowed 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.692 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.418 ' N ' ' HD3' ' A' ' 72' ' ' PRO . . . 40.34 58.32 2.47 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.216 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.445 ' O ' HG23 ' A' ' 75' ' ' VAL . 58.3 Cg_endo -78.36 131.08 10.41 Favored 'Trans proline' 0 C--N 1.309 -1.542 0 C-N-CA 122.806 2.337 . . . . 0.0 112.332 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -87.65 -34.15 18.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.121 0.486 . . . . 0.0 110.881 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 75' ' ' VAL . 49.5 mmtt -61.85 -46.6 88.75 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.071 -178.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 75' ' ' VAL . 76.9 t 29.67 80.13 0.24 Allowed Pre-proline 0 N--CA 1.466 0.342 0 O-C-N 123.607 0.567 . . . . 0.0 111.115 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -56.01 125.83 20.37 Favored 'Trans proline' 0 C--N 1.311 -1.423 0 C-N-CA 121.872 1.715 . . . . 0.0 111.54 -178.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 79' ' ' ALA . 87.4 t -82.39 -19.11 10.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.887 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 67.4 p -42.08 -24.68 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.693 -179.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 77' ' ' VAL . . . -56.5 -22.97 36.3 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.78 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -68.48 -40.51 80.94 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.868 179.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 32.6 m -63.18 -41.59 99.23 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.915 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.437 ' CE1' HD11 ' A' ' 19' ' ' LEU . 30.5 m-85 -58.41 -47.51 83.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.781 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 56.2 t-105 -56.22 -48.54 76.25 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.513 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -66.67 -40.17 88.46 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.746 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 61.1 tp -67.53 -65.28 0.71 Allowed 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 120.972 0.415 . . . . 0.0 111.037 -179.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -52.55 -31.93 16.27 Favored 'Isoleucine or valine' 0 C--O 1.241 0.631 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.204 -179.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 46.6 tttt -59.57 -41.79 91.02 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.278 -179.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.23 -19.15 34.43 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-O 120.809 0.338 . . . . 0.0 111.568 179.537 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.553 HD13 ' O ' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -61.17 -46.51 90.22 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 119.887 -0.725 . . . . 0.0 110.124 -177.062 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 92' ' ' LYS . 16.2 mt -64.07 -42.19 94.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 C-N-CA 120.066 -0.653 . . . . 0.0 110.822 -179.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -41.4 -23.91 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.798 -177.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.514 ' O ' HG23 ' A' ' 95' ' ' VAL . 98.3 mttt -64.72 131.44 46.88 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.766 -0.373 . . . . 0.0 110.401 179.269 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -95.0 -9.6 33.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.525 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -95.02 24.29 4.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.488 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 92' ' ' LYS . 98.7 t -60.46 146.68 10.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.455 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.648 HD21 ' CZ ' ' A' ' 10' ' ' ARG . 0.6 OUTLIER -39.42 162.5 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.918 -179.468 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.523 ' O ' ' N ' ' A' ' 99' ' ' VAL . 69.8 Cg_exo -40.53 -21.76 0.1 OUTLIER 'Trans proline' 0 C--N 1.312 -1.393 0 C-N-CA 122.708 2.272 . . . . 0.0 112.307 179.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.563 ' HB2' ' H72' ' A' ' 1' ' ' MYR . 0.0 OUTLIER -44.69 -16.11 0.02 OUTLIER 'General case' 0 C--O 1.22 -0.475 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.402 179.717 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.523 ' N ' ' O ' ' A' ' 97' ' ' PRO . 67.4 t -58.86 -45.93 91.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.51 -178.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 59.6 ttp -64.01 -41.04 97.6 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.964 0.411 . . . . 0.0 110.526 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.471 ' O ' ' OE2' ' A' ' 48' ' ' GLU . . . -78.63 -18.75 54.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.575 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 98' ' ' GLN . . . -71.68 -45.8 60.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.546 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 51.6 t -57.49 -41.08 78.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.102 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.438 ' HB2' HG23 ' A' ' 109' ' ' ILE . . . -50.27 -43.34 53.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.718 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.472 ' NE2' ' O ' ' A' ' 102' ' ' ALA . 96.2 mm-40 56.74 -94.98 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.478 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 70.7 p -123.58 10.8 9.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.777 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -135.7 143.12 45.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.407 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -66.53 125.4 25.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.18 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.438 HG23 ' HB2' ' A' ' 104' ' ' ALA . 40.3 pt -53.24 -30.66 17.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.45 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.4 ' C ' ' H ' ' A' ' 112' ' ' SER . 66.5 mt -63.42 -38.86 92.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.211 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -77.34 17.79 0.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.566 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.4 ' H ' ' C ' ' A' ' 110' ' ' LEU . 11.1 t -59.79 -45.79 91.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.92 0.39 . . . . 0.0 110.785 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -64.62 -150.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.341 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 39.5 t -61.64 -45.12 95.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.479 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.444 ' OE1' ' OE1' ' A' ' 119' ' ' GLU . 82.5 mt-30 -147.1 -163.32 1.73 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.415 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 38.6 p -68.71 173.12 5.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.303 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -67.59 -3.5 9.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.653 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 84.4 mt -85.18 4.02 36.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.32 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.444 ' OE1' ' OE1' ' A' ' 115' ' ' GLN . 47.8 tp10 -61.0 -43.62 98.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.44 -179.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 65.5 m80 -60.87 -40.72 94.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.502 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.458 ' CG ' ' N ' ' A' ' 122' ' ' HIS . 86.7 t60 -78.84 162.73 25.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.436 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.458 ' N ' ' CG ' ' A' ' 121' ' ' HIS . 49.8 m80 -117.23 143.22 46.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.446 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -107.87 142.75 37.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.328 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 60.8 m170 -106.75 121.52 44.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.459 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.527 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . 0.908 H143 ' CZ ' ' A' ' 11' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.419 ' C ' ' N ' ' A' ' 4' ' ' GLU . . . . . . . . 0 CA--C 1.525 0.701 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 5' ' ' LEU . 98.8 mm-40 -45.39 -20.64 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.95 0.405 . . . . 0.0 110.698 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.551 ' HB3' ' H61' ' A' ' 1' ' ' MYR . 80.0 mm-40 -42.63 -22.36 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.435 179.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 3' ' ' GLN . 32.7 tp -42.81 -33.15 0.71 Allowed 'General case' 0 C--O 1.238 0.486 0 CA-C-O 121.195 0.521 . . . . 0.0 110.418 -179.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.7 m -56.08 -35.62 67.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.209 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 4' ' ' GLU . 96.7 mm-40 -53.67 -45.03 70.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.307 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 -58.36 -48.13 81.58 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.777 0.323 . . . . 0.0 110.197 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.442 ' O ' ' OE2' ' A' ' 13' ' ' GLU . 79.1 tt0 -47.53 -34.42 7.59 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.194 0.521 . . . . 0.0 110.197 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 87.0 mtt-85 -79.31 -45.24 20.05 Favored 'General case' 0 C--O 1.217 -0.65 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.108 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.908 ' CZ ' H143 ' A' ' 1' ' ' MYR . 89.3 t80 -55.26 -44.85 75.97 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.146 -179.396 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.9 t -60.49 -52.84 56.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.737 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.532 ' N ' ' OE2' ' A' ' 13' ' ' GLU . 7.2 mp0 -67.0 -37.08 83.56 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.993 0.425 . . . . 0.0 111.057 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.541 ' O ' ' N ' ' A' ' 17' ' ' GLN . 71.0 tp60 -71.25 -74.01 0.16 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.284 -179.454 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.607 HD23 ' CE2' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -37.61 -48.33 1.02 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.077 0.465 . . . . 0.0 110.147 -178.588 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.594 ' HZ2' ' CD1' ' A' ' 31' ' ' LEU . 65.8 mttt -61.23 -40.57 94.51 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.708 178.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.541 ' N ' ' O ' ' A' ' 14' ' ' GLN . 13.1 mm-40 -64.45 -57.51 9.06 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.278 0.561 . . . . 0.0 109.492 179.527 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.708 ' O ' HG22 ' A' ' 21' ' ' THR . . . -54.22 -14.45 1.15 Allowed 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.811 179.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.735 HD22 HG21 ' A' ' 24' ' ' VAL . 3.2 mt -85.16 -50.26 7.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.425 178.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -43.57 -33.15 1.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.118 -179.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.708 HG22 ' O ' ' A' ' 18' ' ' ALA . 5.3 t -61.01 -35.12 76.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.598 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 19' ' ' LEU . 61.1 mtp85 -72.34 -10.01 59.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.58 -179.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 106.65 29.93 4.51 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.735 HG21 HD22 ' A' ' 19' ' ' LEU . 7.8 t -106.18 168.34 2.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 121.128 -0.229 . . . . 0.0 110.409 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.539 ' N ' HG12 ' A' ' 24' ' ' VAL . 88.8 tttt -115.68 138.01 51.52 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.381 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.773 ' O ' HG23 ' A' ' 26' ' ' VAL . 14.4 m -110.03 91.63 1.8 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-O 121.44 0.638 . . . . 0.0 110.834 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.534 ' HD2' ' HB3' ' A' ' 29' ' ' ALA . 45.2 pttt -109.74 165.27 11.82 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.057 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -63.94 -36.76 85.0 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.18 0.515 . . . . 0.0 110.239 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.534 ' HB3' ' HD2' ' A' ' 27' ' ' LYS . . . -59.36 -24.35 63.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.647 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -72.03 -40.58 68.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.698 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.594 ' CD1' ' HZ2' ' A' ' 16' ' ' LYS . 2.3 mp -61.54 -39.34 90.72 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.001 0.429 . . . . 0.0 110.308 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 49.1 mt -56.06 -46.17 79.02 Favored 'General case' 0 C--N 1.31 -1.136 0 C-N-CA 120.055 -0.658 . . . . 0.0 110.962 -178.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.466 ' O ' ' CB ' ' A' ' 37' ' ' PHE . 88.2 tttt -80.55 -53.36 6.63 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -178.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.605 ' CZ ' ' CE1' ' A' ' 82' ' ' TYR . 0.9 OUTLIER -60.92 -37.96 84.08 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -178.323 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.474 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 6.9 t80 -72.38 -51.2 21.55 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.981 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -72.89 -20.21 61.13 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.449 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.466 ' CB ' ' O ' ' A' ' 33' ' ' LYS . 1.7 t80 -63.45 -61.32 2.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.044 -178.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.514 ' O ' ' N ' ' A' ' 42' ' ' CYS . 1.0 OUTLIER -68.15 -32.37 55.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.935 179.734 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -58.29 -36.48 73.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.616 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -41.58 -61.12 1.13 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.704 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.453 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 12.9 p -105.0 -6.77 19.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.752 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.514 ' N ' ' O ' ' A' ' 38' ' ' VAL . 19.5 p 38.9 57.61 5.71 Favored Pre-proline 0 C--N 1.332 -0.155 0 CA-C-O 121.072 0.463 . . . . 0.0 110.728 -179.307 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.527 ' C ' ' H ' ' A' ' 45' ' ' PHE . 65.3 Cg_endo -78.13 -17.14 13.62 Favored 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 122.559 2.173 . . . . 0.0 112.195 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.885 ' NE1' H141 ' A' ' 1' ' ' MYR . 0.2 OUTLIER -70.8 19.75 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.119 -179.503 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.527 ' H ' ' C ' ' A' ' 43' ' ' PRO . 2.9 m-85 54.28 85.05 0.2 Allowed Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.174 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -70.71 -8.73 24.28 Favored 'Trans proline' 0 C--N 1.31 -1.49 0 C-N-CA 122.746 2.297 . . . . 0.0 112.153 -178.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.6 ' O ' ' H42' ' A' ' 1' ' ' MYR . 86.2 mt-30 -81.21 -57.25 3.59 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.486 -0.486 . . . . 0.0 110.678 -179.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.775 ' O ' ' H51' ' A' ' 1' ' ' MYR . 9.0 pt-20 -92.52 -24.45 18.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.814 178.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.603 ' O ' ' H92' ' A' ' 1' ' ' MYR . . . 64.91 71.06 0.93 Allowed Glycine 0 CA--C 1.527 0.784 0 N-CA-C 110.259 -1.137 . . . . 0.0 110.259 -178.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.5 t -131.61 169.95 15.42 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 120.804 0.335 . . . . 0.0 111.023 -179.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.667 HG23 ' HE1' ' A' ' 44' ' ' TRP . 1.1 mt -103.5 143.25 15.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.138 -179.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -137.79 121.0 16.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.097 0.475 . . . . 0.0 110.132 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 29.7 mm -70.89 -41.41 77.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.833 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -66.56 -51.86 51.94 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.081 -179.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 36.8 ttm-85 -62.07 -41.78 98.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.228 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 23.8 t-105 -52.63 -37.99 59.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.593 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -64.35 -41.89 96.52 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.327 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.474 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 94.0 mtt-85 -58.74 -53.44 58.34 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.987 -179.37 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.1 p -64.09 -38.26 81.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.408 179.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -61.87 -48.25 84.99 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -69.38 -36.99 77.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.888 0.375 . . . . 0.0 110.783 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.474 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 90.4 m -63.39 -36.23 83.02 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.686 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -83.16 -41.98 17.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.965 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -63.37 -39.55 94.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.386 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.751 ' O ' HG23 ' A' ' 69' ' ' THR . 17.3 t0 -66.54 -52.1 49.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.765 179.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.457 ' O ' ' OG1' ' A' ' 69' ' ' THR . 64.6 t80 -62.48 -42.1 99.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.595 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -68.73 -39.38 80.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.818 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.474 ' O ' ' N ' ' A' ' 71' ' ' GLY . 29.6 t30 -62.04 -40.68 96.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.196 -179.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.751 HG23 ' O ' ' A' ' 65' ' ' ASP . 73.5 p -48.67 -20.5 0.47 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.821 -179.433 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -90.47 15.06 11.44 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.785 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 40.18 58.98 2.27 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.728 -0.949 . . . . 0.0 110.728 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.582 ' O ' HG23 ' A' ' 75' ' ' VAL . 56.7 Cg_endo -78.85 125.74 6.84 Favored 'Trans proline' 0 C--N 1.309 -1.545 0 C-N-CA 122.856 2.371 . . . . 0.0 112.287 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -85.94 -25.35 26.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.554 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.492 ' O ' ' C ' ' A' ' 75' ' ' VAL . 53.2 mmtt -67.04 -47.35 71.64 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.953 -179.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 72' ' ' PRO . 98.5 t 26.89 82.73 0.18 Allowed Pre-proline 0 N--CA 1.463 0.179 0 O-C-N 123.889 0.743 . . . . 0.0 110.915 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -57.16 126.84 23.42 Favored 'Trans proline' 0 C--N 1.308 -1.596 0 C-N-CA 122.527 2.152 . . . . 0.0 111.494 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 43.9 t -81.63 -19.5 11.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.887 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.411 HG23 ' H ' ' A' ' 78' ' ' THR . 30.5 p -45.3 -31.41 1.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.179 -179.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.76 -29.94 65.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.125 0.488 . . . . 0.0 110.712 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -73.44 -36.92 65.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.962 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.7 m -65.2 -39.74 93.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.488 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.612 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 6.5 m-85 -61.22 -50.89 71.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.59 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 33.7 t90 -56.27 -39.3 72.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.986 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -61.99 -54.89 35.3 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.229 -179.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 57.7 tp -63.56 -47.98 79.32 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.99 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -60.37 -40.4 83.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.517 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 49.2 tttt -52.93 -47.52 67.97 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.669 -178.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.12 -17.73 39.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.649 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 37.1 tp -60.23 -41.68 93.62 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.707 -176.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 37.1 mt -62.26 -42.49 95.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.408 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -57.75 -17.34 14.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.553 -179.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -62.88 130.96 47.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.423 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -64.26 -36.45 84.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.861 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 69.8 tt0 -69.13 55.85 0.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.499 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 35.8 m -68.54 140.71 18.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.345 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.11 159.14 30.6 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.63 -179.484 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.463 ' C ' ' N ' ' A' ' 99' ' ' VAL . 12.1 Cg_endo -54.72 -11.67 3.66 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 123.111 2.541 . . . . 0.0 112.144 179.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -46.94 -15.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.609 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.799 ' O ' HG23 ' A' ' 103' ' ' VAL . 92.4 t -60.73 -47.34 93.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.722 -179.397 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 94.6 mtp -65.66 -40.13 92.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.786 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -79.11 -13.01 60.01 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.035 0.445 . . . . 0.0 110.79 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.435 ' CB ' ' OE2' ' A' ' 48' ' ' GLU . . . -91.88 -16.13 27.12 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.366 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.799 HG23 ' O ' ' A' ' 99' ' ' VAL . 99.4 t -75.11 -0.93 2.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.8 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.13 -36.92 76.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.733 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -137.38 117.04 12.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.542 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 69.2 p -105.63 4.41 30.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.64 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -107.79 163.42 13.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.547 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -85.1 124.35 31.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.198 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 40.7 pt -52.08 -23.04 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.583 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 96.9 mt -63.68 -42.55 98.01 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.349 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -65.74 -33.39 75.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.504 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 73.7 m -57.95 -47.77 81.93 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.809 -179.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -61.79 -46.37 89.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.566 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 66.8 p -162.44 160.52 26.41 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.454 179.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -103.42 12.73 34.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.89 0.376 . . . . 0.0 110.545 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 72.5 p -66.27 -19.62 65.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.538 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -78.19 -79.2 0.13 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.805 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 118' ' ' LEU . 38.3 mt -63.44 -40.21 96.53 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.82 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 55.06 90.42 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.302 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 54.6 t60 -132.83 143.31 49.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.419 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -118.71 148.62 42.57 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.421 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 61.3 m-70 -97.75 138.15 35.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.498 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -58.7 -47.0 86.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.617 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -113.63 122.28 46.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.521 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 71.6 t60 . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 118.093 -0.956 . . . . 0.0 110.548 179.847 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . 0.877 H143 ' CE2' ' A' ' 11' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.691 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 5' ' ' LEU . 70.9 tp60 -58.58 -29.96 66.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.739 0.304 . . . . 0.0 110.382 -179.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.721 ' OE1' ' H52' ' A' ' 1' ' ' MYR . 97.3 mt-10 -43.86 -21.96 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.446 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 3' ' ' GLN . 51.0 tp -42.37 -33.65 0.68 Allowed 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.057 0.456 . . . . 0.0 110.378 -179.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.4 p -57.72 -32.01 66.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.207 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.719 ' OE1' ' H72' ' A' ' 1' ' ' MYR . 87.4 mt-30 -54.53 -41.72 70.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.093 179.549 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -63.45 -47.2 82.81 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.306 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -45.58 -34.13 3.19 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.547 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -76.53 -46.61 25.78 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.189 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.877 ' CE2' H143 ' A' ' 1' ' ' MYR . 66.5 t80 -50.9 -45.14 60.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.482 -179.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.506 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 15.5 t -63.25 -46.65 95.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.827 0.346 . . . . 0.0 110.845 179.399 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -66.73 -39.58 88.04 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.696 -0.401 . . . . 0.0 110.364 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.522 ' O ' ' N ' ' A' ' 17' ' ' GLN . 72.0 tp60 -74.06 -73.28 0.23 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.391 -178.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.524 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -37.37 -51.37 1.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.662 -178.826 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.506 ' CG ' ' O ' ' A' ' 12' ' ' VAL . 5.2 mmpp? -60.33 -37.7 81.45 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.603 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.522 ' N ' ' O ' ' A' ' 14' ' ' GLN . 46.7 mt-30 -68.62 -57.09 6.24 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.33 179.304 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.69 -16.83 1.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.345 179.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.477 HD11 ' CZ ' ' A' ' 82' ' ' TYR . 10.3 mt -84.22 -51.73 6.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.1 178.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -46.1 -42.14 13.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.508 -179.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.429 ' C ' ' H ' ' A' ' 23' ' ' GLY . 1.7 t -66.19 -30.22 70.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.748 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.4 mmm-85 -75.63 15.81 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.429 ' H ' ' C ' ' A' ' 21' ' ' THR . . . 80.5 25.25 57.2 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.655 HG12 ' N ' ' A' ' 25' ' ' LYS . 26.3 t -106.31 169.93 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.719 0.295 . . . . 0.0 110.777 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.655 ' N ' HG12 ' A' ' 24' ' ' VAL . 99.1 mttt -132.22 137.1 47.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.302 179.199 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.8 t -123.06 98.73 5.88 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.927 -179.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.509 ' HG2' ' H ' ' A' ' 28' ' ' TYR . 10.3 ttmt -91.33 164.46 13.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.227 178.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.704 ' CE1' HD11 ' A' ' 32' ' ' LEU . 92.5 t80 -50.6 -45.55 57.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.722 0.296 . . . . 0.0 110.663 179.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.32 -21.52 66.31 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.556 178.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -66.85 -45.11 79.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.76 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.551 ' O ' ' HB2' ' A' ' 35' ' ' PHE . 5.5 mp -64.39 -40.83 96.58 Favored 'General case' 0 C--O 1.208 -1.083 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.974 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.704 HD11 ' CE1' ' A' ' 28' ' ' TYR . 55.3 mt -57.71 -44.52 85.99 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.768 -179.067 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -74.25 -51.83 14.15 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.03 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.465 ' CE2' ' CE1' ' A' ' 82' ' ' TYR . 44.6 t80 -62.7 -37.59 87.1 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.337 -178.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.551 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 2.8 t80 -71.6 -46.32 59.55 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.88 179.332 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -71.78 -21.24 61.75 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.107 0.48 . . . . 0.0 110.385 -179.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.67 -59.65 3.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.091 -179.317 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.542 ' O ' ' N ' ' A' ' 42' ' ' CYS . 2.9 m -69.81 -38.5 76.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.032 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -57.52 -31.44 66.06 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.439 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -44.74 -60.82 1.83 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.682 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 42' ' ' CYS . 19.5 p -112.15 -1.96 15.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.749 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.542 ' N ' ' O ' ' A' ' 38' ' ' VAL . 23.1 t 36.68 65.64 2.21 Favored Pre-proline 0 C--O 1.221 -0.422 0 CA-C-O 121.234 0.54 . . . . 0.0 110.669 -179.221 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.537 ' C ' ' H ' ' A' ' 45' ' ' PHE . 11.9 Cg_exo -68.44 -19.86 42.57 Favored 'Trans proline' 0 C--N 1.297 -2.183 0 C-N-CA 123.118 2.545 . . . . 0.0 112.141 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.713 ' NE1' H142 ' A' ' 1' ' ' MYR . 1.2 m-90 -70.68 22.81 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.77 -179.652 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.545 ' CE2' ' NE ' ' A' ' 55' ' ' ARG . 6.1 m-85 55.43 96.43 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.288 179.652 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -67.75 -7.84 20.67 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 123.003 2.469 . . . . 0.0 112.089 -178.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -85.74 -58.48 2.64 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.049 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.761 ' O ' ' H51' ' A' ' 1' ' ' MYR . 6.1 pt-20 -93.4 -22.22 19.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.948 179.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.717 ' O ' ' H71' ' A' ' 1' ' ' MYR . . . 59.48 75.8 0.25 Allowed Glycine 0 CA--C 1.527 0.786 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 -178.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.413 ' O ' ' CD1' ' A' ' 44' ' ' TRP . 12.4 t -139.77 169.09 18.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.814 0.34 . . . . 0.0 110.791 -179.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.508 HG23 ' NE1' ' A' ' 44' ' ' TRP . 1.4 mt -90.88 141.12 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.064 179.438 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -135.88 123.07 21.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.258 0.551 . . . . 0.0 110.614 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 40.3 mm -71.55 -39.92 70.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.919 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -66.51 -53.65 32.6 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.304 -178.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.545 ' NE ' ' CE2' ' A' ' 45' ' ' PHE . 93.4 mtt-85 -63.12 -34.79 78.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.701 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 35.5 t-105 -55.08 -38.87 68.64 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.2 0.524 . . . . 0.0 110.443 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -66.95 -38.98 87.13 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.312 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.468 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 23.7 mmt180 -59.81 -51.83 68.07 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -179.686 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.43 HG13 ' N ' ' A' ' 60' ' ' GLY . 3.2 p -64.14 -42.45 95.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.475 179.264 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.43 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -60.38 -43.92 98.14 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -71.73 -35.99 70.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.71 0.29 . . . . 0.0 110.422 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.468 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 89.0 m -64.56 -39.4 93.68 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.721 -179.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -78.94 -43.19 25.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.042 179.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.814 HE21 HD21 ' A' ' 68' ' ' ASN . 50.3 tp60 -64.22 -37.92 89.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.335 -179.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.558 ' O ' HG23 ' A' ' 69' ' ' THR . 49.0 t0 -64.38 -52.6 57.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.712 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.458 ' O ' ' OG1' ' A' ' 69' ' ' THR . 6.3 m-85 -65.55 -39.03 91.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.724 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.417 ' CD2' ' HG3' ' A' ' 72' ' ' PRO . 66.9 t80 -65.96 -39.4 90.39 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.655 -179.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.814 HD21 HE21 ' A' ' 64' ' ' GLN . 1.6 m120 -62.29 -42.07 99.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.086 -178.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.558 HG23 ' O ' ' A' ' 65' ' ' ASP . 81.2 p -48.4 -26.79 2.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.342 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -82.95 14.47 3.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.76 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 38.0 59.31 1.45 Allowed Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.427 ' O ' HG23 ' A' ' 75' ' ' VAL . 56.2 Cg_endo -78.02 130.12 10.15 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.851 2.367 . . . . 0.0 112.178 -179.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -88.53 -27.03 21.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.632 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.519 ' HD2' ' H ' ' A' ' 74' ' ' LYS . 9.8 mptt -67.31 -47.36 70.81 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 -178.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.518 ' C ' ' O ' ' A' ' 74' ' ' LYS . 94.8 t 27.16 78.7 0.24 Allowed Pre-proline 0 C--O 1.233 0.186 0 O-C-N 123.725 0.641 . . . . 0.0 110.812 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -55.66 125.75 20.14 Favored 'Trans proline' 0 C--N 1.308 -1.57 0 C-N-CA 122.534 2.156 . . . . 0.0 111.667 -179.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 92.6 t -81.99 -19.67 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.026 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 70.7 p -44.85 -26.36 0.4 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.407 -179.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.2 -24.0 51.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.683 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.411 ' CE1' ' ND2' ' A' ' 84' ' ' ASN . 40.1 t80 -67.05 -38.16 85.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 179.608 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 44.6 m -61.97 -39.69 93.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.843 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.477 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 30.4 m-85 -60.75 -48.57 81.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.743 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.42 ' CE3' ' OD1' ' A' ' 84' ' ' ASN . 37.2 t90 -56.17 -50.14 72.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.896 -179.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.42 ' OD1' ' CE3' ' A' ' 83' ' ' TRP . 89.1 m-20 -65.77 -40.69 92.29 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.347 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 63.4 tp -66.62 -64.78 0.78 Allowed 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.238 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -51.86 -34.71 17.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.1 0.476 . . . . 0.0 110.3 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 42.1 tttt -57.12 -43.55 82.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.671 -178.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.434 ' OE2' ' O ' ' A' ' 88' ' ' GLU . 0.5 OUTLIER -82.87 -20.02 36.34 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.657 -179.574 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.616 HD13 ' O ' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -60.56 -45.62 93.23 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.189 -177.53 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 7.3 mt -62.24 -43.51 98.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.135 -179.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -55.65 -38.23 69.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.457 -179.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.41 ' C ' ' H ' ' A' ' 94' ' ' GLU . 66.9 mmtt -64.46 142.47 58.41 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.587 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -66.95 1.3 1.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.586 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.41 ' H ' ' C ' ' A' ' 92' ' ' LYS . 72.7 tt0 -73.02 55.87 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.492 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.2 m -100.88 135.41 37.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.342 -179.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.536 ' O ' ' N ' ' A' ' 98' ' ' GLN . 0.6 OUTLIER -76.27 160.39 77.95 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.199 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.524 ' O ' ' N ' ' A' ' 99' ' ' VAL . 54.6 Cg_exo -42.64 -13.99 0.04 OUTLIER 'Trans proline' 0 C--N 1.308 -1.599 0 C-N-CA 122.882 2.388 . . . . 0.0 112.15 179.193 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.536 ' N ' ' O ' ' A' ' 96' ' ' ASN . 4.7 pt20 -46.17 -13.11 0.02 OUTLIER 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.623 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.747 ' O ' HG23 ' A' ' 103' ' ' VAL . 68.9 t -60.55 -46.37 95.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.531 -179.343 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 70.0 mtm -67.93 -41.32 82.74 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.97 0.414 . . . . 0.0 110.573 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.54 -14.33 59.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.591 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.458 ' CB ' ' OE2' ' A' ' 48' ' ' GLU . . . -91.22 -27.39 18.5 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.099 -179.643 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 99' ' ' VAL . 45.2 t -59.38 -46.31 92.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.229 -179.257 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.31 -31.22 70.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.525 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -83.61 -107.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.632 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.473 ' O ' HG22 ' A' ' 106' ' ' THR . 27.8 m 40.47 83.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.535 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -54.36 147.66 13.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.451 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -85.57 117.44 24.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.275 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.438 ' O ' ' OG ' ' A' ' 112' ' ' SER . 38.6 pt -51.98 -24.01 4.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.554 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 96.7 mt -65.11 -42.22 94.18 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.414 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -66.12 -38.35 87.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.562 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 109' ' ' ILE . 79.9 p -60.48 -45.32 94.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.586 -179.461 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 43.2 t-20 -68.07 -41.51 81.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.587 179.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 54.0 p -162.41 139.85 8.27 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.551 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -90.62 28.72 1.44 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.417 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 72.9 p -62.17 -43.94 97.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.554 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -57.03 -50.29 73.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.497 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 95.5 mt -129.22 132.36 47.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.64 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 49.6 tp10 -107.31 123.07 47.79 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.378 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -72.9 145.32 46.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.688 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -100.08 131.83 45.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.472 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 54.3 t-80 -64.8 -43.17 94.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.502 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -104.18 114.9 29.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.569 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.422 ' O ' ' OXT' ' A' ' 125' ' ' HIS . 25.1 t-80 -84.59 127.76 34.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.623 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.519 ' CG ' ' O ' ' A' ' 125' ' ' HIS . 55.0 t-80 . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.499 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . 0.902 H143 ' CZ ' ' A' ' 11' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.722 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -65.05 -25.37 67.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 0.0 110.585 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.729 ' OE2' ' H32' ' A' ' 1' ' ' MYR . 98.8 mt-10 -54.43 -20.32 7.29 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.535 179.278 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 5' ' ' LEU . 35.1 tp -43.98 -34.77 1.81 Allowed 'General case' 0 C--O 1.242 0.672 0 CA-C-O 121.322 0.582 . . . . 0.0 110.52 -179.276 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.2 m -52.17 -33.63 41.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.101 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.517 ' HG2' ' H81' ' A' ' 1' ' ' MYR . 67.6 tp60 -53.38 -43.09 67.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.268 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.547 ' CE1' H112 ' A' ' 1' ' ' MYR . 77.7 m-70 -61.02 -48.76 80.28 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.259 179.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -49.46 -31.52 10.07 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-O 121.532 0.682 . . . . 0.0 110.626 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 76.3 mmt-85 -82.5 -48.78 10.65 Favored 'General case' 0 C--O 1.213 -0.845 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.024 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.902 ' CZ ' H143 ' A' ' 1' ' ' MYR . 92.6 t80 -52.87 -42.05 64.88 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.946 0.403 . . . . 0.0 110.168 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.1 t -62.09 -51.4 72.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 C-N-CA 120.621 -0.431 . . . . 0.0 110.825 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -67.8 -38.36 83.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.628 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.581 ' O ' ' N ' ' A' ' 17' ' ' GLN . 66.3 tp60 -71.27 -73.3 0.18 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.637 -179.442 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.701 HD23 ' CE2' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -37.29 -44.6 0.61 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.949 0.404 . . . . 0.0 110.159 -178.715 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.624 ' HZ2' ' CD1' ' A' ' 31' ' ' LEU . 75.4 mttt -62.12 -39.89 94.07 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.05 0.453 . . . . 0.0 110.942 178.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.581 ' N ' ' O ' ' A' ' 14' ' ' GLN . 61.5 mt-30 -64.39 -57.12 10.22 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.779 179.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.5 ' O ' ' CG2' ' A' ' 21' ' ' THR . . . -55.61 -15.49 2.99 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.419 0.628 . . . . 0.0 110.289 179.141 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 22' ' ' ARG . 8.8 mt -87.88 -53.11 4.92 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.307 178.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -41.19 -38.78 1.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.834 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.5 ' CG2' ' O ' ' A' ' 18' ' ' ALA . 0.6 OUTLIER -60.91 -34.84 75.29 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.74 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 19' ' ' LEU . 15.0 mmm180 -69.39 -9.51 53.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.728 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.09 29.52 4.54 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.464 HG12 ' H ' ' A' ' 25' ' ' LYS . 3.1 t -106.98 167.05 3.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.532 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.464 ' H ' HG12 ' A' ' 24' ' ' VAL . 49.3 mtmt -110.56 147.55 33.96 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.346 179.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.788 ' O ' HG23 ' A' ' 26' ' ' VAL . 16.4 m -129.02 85.88 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 121.392 0.615 . . . . 0.0 110.683 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.535 ' HD3' ' H ' ' A' ' 29' ' ' ALA . 11.0 tmtt? -109.84 165.41 11.72 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.945 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -53.97 -41.76 68.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 110.605 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.535 ' H ' ' HD3' ' A' ' 27' ' ' LYS . . . -57.26 -22.55 42.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.102 0.477 . . . . 0.0 110.598 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -71.33 -40.79 70.51 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.615 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.624 ' CD1' ' HZ2' ' A' ' 16' ' ' LYS . 4.2 mp -64.73 -42.54 95.15 Favored 'General case' 0 C--O 1.211 -0.926 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.199 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.5 mt -58.14 -50.25 74.14 Favored 'General case' 0 C--N 1.317 -0.848 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.007 -178.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -74.15 -52.85 11.24 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.181 -178.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -61.01 -41.68 96.99 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.08 -177.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.498 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 6.4 t80 -72.96 -43.38 62.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.898 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.462 ' OD1' ' O ' ' A' ' 36' ' ' ASP . 65.7 t0 -68.79 -34.82 76.18 Favored 'General case' 0 N--CA 1.458 -0.066 0 CA-C-O 121.039 0.447 . . . . 0.0 110.65 -179.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -57.07 -50.65 72.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.004 -178.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.54 ' O ' ' N ' ' A' ' 42' ' ' CYS . 14.3 m -71.31 -41.5 74.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.975 179.557 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.405 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 86.7 tttt -60.41 -25.59 66.05 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.418 -179.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -55.51 -55.76 28.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.043 -178.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.3 p -113.05 -3.2 14.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.845 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.54 ' N ' ' O ' ' A' ' 38' ' ' VAL . 3.0 m 39.48 60.97 5.93 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.602 -179.124 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.431 ' HD3' ' N ' ' A' ' 42' ' ' CYS . 58.8 Cg_endo -80.77 -12.69 12.13 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.901 2.401 . . . . 0.0 112.505 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.834 ' NE1' H141 ' A' ' 1' ' ' MYR . 0.3 OUTLIER -77.76 21.98 0.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.831 -179.199 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.463 ' CE2' ' NE ' ' A' ' 55' ' ' ARG . 4.8 m-85 54.16 82.24 0.25 Allowed Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.391 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -69.65 -5.56 16.42 Favored 'Trans proline' 0 C--N 1.31 -1.492 0 C-N-CA 122.836 2.358 . . . . 0.0 112.131 -178.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -83.18 -57.13 3.4 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.544 -179.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.793 ' O ' ' H51' ' A' ' 1' ' ' MYR . 7.8 pt-20 -91.85 -23.4 19.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.764 178.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.622 ' O ' ' H71' ' A' ' 1' ' ' MYR . . . 65.89 73.48 0.61 Allowed Glycine 0 CA--C 1.528 0.846 0 N-CA-C 110.656 -0.977 . . . . 0.0 110.656 -178.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.9 t -141.93 169.29 17.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.783 0.325 . . . . 0.0 110.768 -179.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.593 HG23 ' HE1' ' A' ' 44' ' ' TRP . 1.2 mt -90.43 143.85 10.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.101 179.557 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -140.16 120.36 13.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.286 0.565 . . . . 0.0 110.252 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.0 mm -72.6 -40.69 62.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.085 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -63.01 -56.66 15.07 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.22 -178.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.463 ' NE ' ' CE2' ' A' ' 45' ' ' PHE . 94.9 mtt-85 -62.92 -34.51 77.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.727 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 25.4 t-105 -57.1 -36.05 70.15 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 121.103 0.478 . . . . 0.0 110.538 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 76.6 ttt-85 -68.02 -41.17 82.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.333 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.506 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 84.2 mtt85 -58.48 -50.8 72.42 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.353 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.4 ' H ' HG12 ' A' ' 59' ' ' VAL . 3.2 p -64.19 -37.04 78.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.606 179.393 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -63.31 -45.71 94.5 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -71.12 -40.32 71.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.886 0.374 . . . . 0.0 110.631 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.506 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 89.1 m -60.52 -37.16 80.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.717 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -83.88 -38.85 20.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.973 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -63.37 -42.09 98.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.771 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.754 ' O ' HG23 ' A' ' 69' ' ' THR . 0.6 OUTLIER -69.5 -44.53 70.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.672 -179.667 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.461 ' N ' ' CG ' ' A' ' 65' ' ' ASP . 59.2 t80 -66.72 -43.72 83.5 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.668 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.404 ' CE2' ' CG ' ' A' ' 72' ' ' PRO . 62.6 t80 -67.1 -38.5 85.76 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.63 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.484 ' O ' ' N ' ' A' ' 71' ' ' GLY . 88.1 m-20 -61.57 -41.17 97.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.048 -178.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.754 HG23 ' O ' ' A' ' 65' ' ' ASP . 82.4 p -48.02 -24.22 1.02 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.813 -179.365 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -86.06 14.98 5.46 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.745 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 39.32 59.07 1.92 Allowed Glycine 0 CA--C 1.527 0.815 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.039 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.472 ' O ' HG23 ' A' ' 75' ' ' VAL . 58.1 Cg_endo -79.22 129.7 8.84 Favored 'Trans proline' 0 C--N 1.307 -1.649 0 C-N-CA 122.806 2.337 . . . . 0.0 112.336 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -88.57 -29.5 19.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.929 0.395 . . . . 0.0 110.48 179.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.509 ' O ' ' C ' ' A' ' 75' ' ' VAL . 48.8 mmtt -64.61 -46.49 82.4 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.856 -178.332 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.509 ' C ' ' O ' ' A' ' 74' ' ' LYS . 89.4 t 26.02 83.84 0.15 Allowed Pre-proline 0 CA--C 1.529 0.14 0 O-C-N 123.968 0.793 . . . . 0.0 110.779 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -55.5 125.57 19.58 Favored 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 122.372 2.048 . . . . 0.0 111.605 -179.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 93.0 t -82.71 -18.07 10.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.89 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 25.5 p -49.28 -25.43 2.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.194 -179.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.8 -27.01 48.99 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.009 0.433 . . . . 0.0 110.687 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.487 ' CE1' ' OD1' ' A' ' 84' ' ' ASN . 51.0 t80 -71.3 -34.09 70.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.99 179.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.0 t -68.62 -42.61 77.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.771 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.464 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 5.3 m-85 -57.98 -53.77 54.5 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.701 -179.286 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 42.0 t90 -58.3 -39.58 79.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.072 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.487 ' OD1' ' CE1' ' A' ' 80' ' ' PHE . 7.2 m120 -64.43 -46.85 81.4 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.32 -179.085 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 63.8 tp -68.75 -50.38 51.01 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.727 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -60.98 -38.36 79.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.291 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 64.7 tttt -54.52 -47.72 72.79 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.554 -178.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.44 -18.17 36.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.115 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 33.9 tp -60.13 -40.64 90.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.402 -176.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 41.5 mt -61.22 -42.42 93.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.459 -179.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -54.47 -40.3 68.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.342 -178.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.487 ' C ' ' H ' ' A' ' 94' ' ' GLU . 96.9 mttt -65.74 144.29 56.98 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.749 179.401 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -67.7 7.89 0.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.625 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.487 ' H ' ' C ' ' A' ' 92' ' ' LYS . 74.8 tt0 -72.33 54.68 0.32 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.387 -179.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.0 m -108.62 141.45 23.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.226 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.612 ' ND2' ' N ' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -83.8 171.16 11.99 Favored Pre-proline 0 N--CA 1.452 -0.35 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.83 -179.463 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.529 ' O ' ' N ' ' A' ' 99' ' ' VAL . 51.9 Cg_exo -49.17 -13.1 0.3 Allowed 'Trans proline' 0 C--N 1.31 -1.472 0 C-N-CA 122.876 2.384 . . . . 0.0 112.188 179.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.532 ' NE2' ' OD1' ' A' ' 96' ' ' ASN . 0.5 OUTLIER -45.9 -13.51 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.593 179.43 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.691 ' O ' HG23 ' A' ' 103' ' ' VAL . 69.2 t -60.1 -49.34 84.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.686 -179.124 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 60.0 ttp -63.19 -44.79 94.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.645 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.62 -14.43 60.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.026 0.441 . . . . 0.0 110.757 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 98' ' ' GLN . . . -91.56 -27.73 18.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.202 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 99' ' ' VAL . 53.1 t -59.93 -45.61 94.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.323 -179.451 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.01 -37.65 74.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.561 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -65.99 -39.62 90.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.458 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 33.2 m -66.27 135.99 55.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.655 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -102.69 142.56 33.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.492 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 111' ' ' LYS . 99.5 mt-10 -68.51 119.39 12.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.48 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 46.1 pt -41.97 -26.7 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.702 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 108' ' ' GLU . 96.0 mt -63.83 -41.65 97.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.626 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 108' ' ' GLU . 88.9 tttt -62.45 -32.35 73.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.551 179.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 111' ' ' LYS . 20.8 t -39.23 -70.86 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.759 -179.549 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.408 ' N ' ' ND2' ' A' ' 113' ' ' ASN . 3.3 m120 -63.95 -50.63 67.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.779 -179.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 97.8 p -163.99 164.46 23.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.63 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.429 ' O ' ' O ' ' A' ' 118' ' ' LEU . 86.6 mt-30 -77.0 78.47 3.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.989 0.423 . . . . 0.0 110.614 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.7 m -64.07 -43.9 94.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.27 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -56.77 -49.84 74.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.604 -179.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.429 ' O ' ' O ' ' A' ' 115' ' ' GLN . 91.3 mt -117.47 127.4 53.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.657 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -107.18 122.18 45.99 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.372 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -122.27 148.92 44.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.574 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.451 ' O ' ' ND1' ' A' ' 125' ' ' HIS . 99.0 m-70 -135.64 144.84 46.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.583 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.425 ' O ' ' O ' ' A' ' 125' ' ' HIS . 93.3 m-70 -64.71 -43.99 91.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.48 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -60.19 -41.65 93.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.599 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -60.97 -42.46 98.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.659 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.466 ' CG ' ' O ' ' A' ' 125' ' ' HIS . 37.5 p-80 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.532 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . 0.853 H141 ' HE1' ' A' ' 44' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.439 ' C ' ' O1 ' ' A' ' 1' ' ' MYR . . . . . . . . 0 C--O 1.226 -0.358 0 N-CA-C 110.651 -0.98 . . . . 0.0 110.651 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -39.23 -52.49 1.95 Allowed 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.446 -177.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 5' ' ' LEU . 80.7 tt0 -85.91 -64.6 1.13 Allowed 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.706 178.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.738 HD13 ' N ' ' A' ' 6' ' ' SER . 1.9 tm? -39.17 -66.54 0.28 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.709 -176.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.738 ' N ' HD13 ' A' ' 5' ' ' LEU . 71.0 m -44.99 -39.14 5.29 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 120.159 -0.616 . . . . 0.0 110.444 -177.406 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.457 ' O ' ' CB ' ' A' ' 11' ' ' TYR . 31.5 tt0 -48.29 -60.88 2.31 Favored 'General case' 0 C--O 1.214 -0.788 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.836 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -54.26 -43.01 70.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.891 0.377 . . . . 0.0 111.223 -179.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -60.06 -63.35 1.33 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.431 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.756 HH22 ' H ' ' A' ' 96' ' ' ASN . 80.2 mtp180 -66.23 -43.37 86.79 Favored 'General case' 0 C--O 1.206 -1.185 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.71 -179.305 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.457 ' CB ' ' O ' ' A' ' 7' ' ' GLN . 48.0 t80 -55.38 -56.35 21.1 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.216 0.531 . . . . 0.0 110.726 -179.21 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.75 -51.97 66.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 C-N-CA 120.074 -0.65 . . . . 0.0 111.928 -179.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -69.51 -48.25 61.15 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -178.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.518 ' O ' ' N ' ' A' ' 17' ' ' GLN . 65.1 tp60 -68.59 -72.39 0.18 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.255 -178.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.436 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -38.04 -49.91 1.32 Allowed 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.877 -177.858 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -63.87 -39.09 93.38 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.019 -0.673 . . . . 0.0 111.285 178.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.518 ' N ' ' O ' ' A' ' 14' ' ' GLN . 46.1 mt-30 -66.53 -59.34 3.72 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-O 121.211 0.529 . . . . 0.0 110.287 179.68 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.513 ' O ' ' CG2' ' A' ' 21' ' ' THR . . . -44.11 -21.74 0.05 OUTLIER 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.809 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.533 HD11 ' CE1' ' A' ' 82' ' ' TYR . 7.3 mt -85.76 -45.12 11.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.468 177.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 17' ' ' GLN . 96.6 mttt -39.7 -41.94 1.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.816 -179.015 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.513 ' CG2' ' O ' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -59.11 -35.45 73.47 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.673 179.827 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 19' ' ' LEU . 43.0 mmt-85 -71.1 -6.95 43.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.341 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.13 32.35 6.47 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.9 t -105.37 161.13 5.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -118.52 162.95 17.51 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.377 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.729 ' O ' HG23 ' A' ' 26' ' ' VAL . 10.3 m -124.38 106.02 16.18 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-O 121.36 0.6 . . . . 0.0 110.895 -179.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.489 ' HD2' ' HB3' ' A' ' 29' ' ' ALA . 41.2 pttt -110.31 168.01 9.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.563 0.697 . . . . 0.0 111.148 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -58.97 -39.89 83.11 Favored 'General case' 0 C--N 1.32 -0.714 0 O-C-N 121.692 -0.63 . . . . 0.0 109.967 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.489 ' HB3' ' HD2' ' A' ' 27' ' ' LYS . . . -64.53 -22.35 66.94 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.308 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.413 ' HB2' ' O ' ' A' ' 27' ' ' LYS . 57.8 m-20 -71.05 -41.48 70.7 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.566 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.462 ' O ' ' CB ' ' A' ' 35' ' ' PHE . 6.4 mp -64.2 -43.17 95.84 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.45 179.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.422 ' H ' ' HG ' ' A' ' 32' ' ' LEU . 40.8 mt -55.85 -50.35 70.82 Favored 'General case' 0 C--N 1.314 -0.964 0 C-N-CA 119.404 -0.918 . . . . 0.0 111.04 -178.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -74.31 -53.18 10.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.544 -178.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.453 ' O ' HG22 ' A' ' 38' ' ' VAL . 10.0 t80 -60.27 -40.39 90.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.992 0.425 . . . . 0.0 112.132 -178.207 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.462 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 5.9 t80 -70.0 -46.08 65.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.296 178.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -70.73 -21.29 62.56 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.795 -179.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -66.18 -59.68 3.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.815 -179.532 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.537 ' O ' ' N ' ' A' ' 42' ' ' CYS . 0.2 OUTLIER -68.23 -40.5 82.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.799 179.726 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -53.97 -33.94 58.34 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.761 -179.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -42.55 -64.07 0.67 Allowed 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.017 -179.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 61.1 p -116.04 3.22 13.57 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.168 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.537 ' N ' ' O ' ' A' ' 38' ' ' VAL . 15.9 m 38.78 63.35 4.21 Favored Pre-proline 0 C--O 1.223 -0.33 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.388 -178.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.558 ' C ' ' H ' ' A' ' 45' ' ' PHE . 22.0 Cg_exo -65.86 -20.38 58.36 Favored 'Trans proline' 0 C--N 1.307 -1.62 0 C-N-CA 122.808 2.339 . . . . 0.0 112.199 -179.327 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.853 ' HE1' H141 ' A' ' 1' ' ' MYR . 1.2 m-90 -70.3 26.55 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.309 0.576 . . . . 0.0 110.929 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.558 ' H ' ' C ' ' A' ' 43' ' ' PRO . 0.1 OUTLIER 63.1 98.44 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.053 -179.819 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -72.8 -5.84 17.92 Favored 'Trans proline' 0 C--N 1.311 -1.425 0 C-N-CA 122.317 2.011 . . . . 0.0 112.352 -178.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -83.68 -59.64 2.37 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.092 -0.643 . . . . 0.0 110.865 -179.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 54.3 tp10 -94.27 -36.67 11.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.123 178.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.12 65.7 1.27 Allowed Glycine 0 CA--C 1.529 0.918 0 N-CA-C 110.511 -1.036 . . . . 0.0 110.511 -177.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.449 ' O ' ' O ' ' A' ' 44' ' ' TRP . 10.2 t -138.87 169.7 17.32 Favored 'General case' 0 CA--C 1.523 -0.072 0 CA-C-O 120.963 0.411 . . . . 0.0 110.679 -179.53 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.437 ' CD1' HD23 ' A' ' 89' ' ' LEU . 1.4 mt -80.68 143.42 12.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.172 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -137.2 123.59 20.72 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.908 0.385 . . . . 0.0 110.508 179.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 37.5 mm -69.94 -41.61 79.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.62 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.461 ' CD ' HH11 ' A' ' 57' ' ' ARG . 70.8 mmtt -61.31 -56.14 23.8 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-O 121.441 0.639 . . . . 0.0 111.166 -179.095 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -64.01 -33.49 75.85 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.467 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 38.3 t-105 -56.93 -38.7 73.27 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 121.144 0.497 . . . . 0.0 110.519 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.461 HH11 ' CD ' ' A' ' 54' ' ' LYS . 88.6 mtm180 -66.18 -40.01 90.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.129 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.516 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 94.3 mtt180 -60.68 -51.72 68.18 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.351 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.437 HG13 ' N ' ' A' ' 60' ' ' GLY . 3.7 p -64.0 -41.9 93.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.466 179.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.437 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -61.86 -47.12 92.24 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 -179.643 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -71.12 -37.67 72.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.753 0.311 . . . . 0.0 110.716 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.516 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 91.3 m -66.12 -39.31 89.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.129 -179.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -82.73 -42.2 18.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.85 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -62.58 -44.44 96.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.687 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.779 ' O ' HG23 ' A' ' 69' ' ' THR . 13.6 t70 -63.58 -53.5 50.71 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.747 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.473 ' CD2' ' C ' ' A' ' 66' ' ' TYR . 16.7 t80 -61.35 -45.52 94.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.902 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.53 ' O ' ' N ' ' A' ' 71' ' ' GLY . 54.6 t80 -62.48 -45.63 92.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.761 -179.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 -64.21 -41.08 97.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.752 -179.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.779 HG23 ' O ' ' A' ' 65' ' ' ASP . 67.9 p -64.82 -31.76 73.14 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.363 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -111.15 12.86 21.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.563 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.53 ' N ' ' O ' ' A' ' 67' ' ' TYR . . . -128.22 -161.46 10.72 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 -179.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -79.31 159.21 26.21 Favored 'Trans proline' 0 C--N 1.309 -1.517 0 C-N-CA 123.192 2.595 . . . . 0.0 112.201 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -71.54 -32.73 68.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.126 0.489 . . . . 0.0 110.774 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 75' ' ' VAL . 48.8 mmtt -62.5 -44.54 96.13 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.698 -178.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.414 ' O ' ' O ' ' A' ' 74' ' ' LYS . 20.3 t 60.29 131.82 0.02 OUTLIER Pre-proline 0 C--N 1.318 -0.765 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.115 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -50.97 126.76 19.59 Favored 'Trans proline' 0 N--CA 1.491 1.358 0 C-N-CA 121.896 1.73 . . . . 0.0 111.889 179.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 45.0 t -82.95 -24.08 8.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.576 179.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.421 ' H ' HG23 ' A' ' 78' ' ' THR . 19.3 p -47.71 -27.51 1.99 Allowed 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.088 -179.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.18 -23.38 65.54 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.256 0.55 . . . . 0.0 111.232 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -66.46 -37.73 85.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.696 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 78.3 p -66.77 -34.24 77.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.615 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.533 ' CE1' HD11 ' A' ' 19' ' ' LEU . 19.0 m-85 -59.6 -49.85 76.16 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.678 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.416 ' O ' ' CB ' ' A' ' 87' ' ' LYS . 45.0 t90 -59.24 -47.58 84.83 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.901 -179.525 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -62.49 -41.13 98.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.308 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.408 HD21 ' CB ' ' A' ' 18' ' ' ALA . 52.5 tp -69.38 -61.96 1.58 Allowed 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 120.734 -0.387 . . . . 0.0 110.911 -179.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -54.87 -34.42 30.79 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 CA-C-O 121.161 0.505 . . . . 0.0 110.195 -179.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.416 ' CB ' ' O ' ' A' ' 83' ' ' TRP . 68.5 tttt -56.77 -47.87 79.14 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.849 -179.3 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.94 -18.03 33.79 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 121.023 0.44 . . . . 0.0 111.759 179.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.437 HD23 ' CD1' ' A' ' 51' ' ' ILE . 32.5 tp -58.26 -42.16 85.86 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.84 -175.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 26.2 mt -63.46 -43.43 98.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.255 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -52.97 -15.19 0.71 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -178.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 71.4 tttt -68.11 139.4 56.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.444 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -85.72 4.69 35.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.535 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -100.21 54.35 0.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.421 -178.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 21.4 t -114.24 129.47 70.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-O 120.957 0.408 . . . . 0.0 109.967 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.756 ' H ' HH22 ' A' ' 10' ' ' ARG . 0.9 OUTLIER -41.71 163.84 0.11 Allowed Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.698 -179.779 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.53 ' O ' ' N ' ' A' ' 99' ' ' VAL . 68.0 Cg_exo -42.47 -18.53 0.1 OUTLIER 'Trans proline' 0 C--N 1.313 -1.333 0 C-N-CA 122.654 2.236 . . . . 0.0 111.922 179.181 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.519 ' O ' ' N ' ' A' ' 102' ' ' ALA . 6.0 pt20 -46.23 -12.57 0.02 OUTLIER 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.546 179.417 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.53 ' N ' ' O ' ' A' ' 97' ' ' PRO . 79.3 t -59.57 -46.82 92.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.819 -179.396 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 97.0 mmm -67.03 -37.89 84.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.94 0.4 . . . . 0.0 110.875 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -83.72 -18.83 36.57 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.064 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.55 ' O ' ' N ' ' A' ' 104' ' ' ALA . . . -82.15 -48.32 11.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.863 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 99' ' ' VAL . 39.4 t -44.78 -13.63 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.683 179.394 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.55 ' N ' ' O ' ' A' ' 102' ' ' ALA . . . -57.51 -28.38 63.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.348 179.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 41.65 -160.13 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.635 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.7 m -61.4 -45.72 93.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.357 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -127.54 155.84 43.16 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.683 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -71.35 122.17 19.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.187 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 36.4 pt -49.49 -26.39 2.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.463 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.58 -42.78 98.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.377 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 114' ' ' SER . 64.0 tttp -63.0 -47.25 83.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.472 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 111' ' ' LYS . 21.8 t 37.88 -123.52 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.588 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -65.36 -40.54 93.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.575 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.44 ' O ' ' O ' ' A' ' 111' ' ' LYS . 26.8 p -156.68 162.22 39.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.75 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -67.24 120.94 14.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.505 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 68.1 p -109.93 -50.92 2.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.552 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -64.15 -52.89 56.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.629 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 43.7 tp -64.96 -40.67 95.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.375 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 57.41 109.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.503 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -91.66 122.58 34.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.459 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.44 ' ND1' ' CE1' ' A' ' 123' ' ' HIS . 61.4 t-80 -145.89 140.91 27.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.525 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -113.69 130.49 56.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.443 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.44 ' CE1' ' ND1' ' A' ' 121' ' ' HIS . 74.3 m80 -110.3 128.1 55.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.56 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -110.13 143.98 39.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.458 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.48 ' OXT' ' ND1' ' A' ' 125' ' ' HIS . 59.1 t-80 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.577 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . 0.642 H142 ' CE2' ' A' ' 44' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.797 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.413 ' C ' ' N ' ' A' ' 5' ' ' LEU . 61.2 tt0 -57.32 -27.75 62.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.012 0.434 . . . . 0.0 110.566 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 66.1 tt0 -47.32 -19.88 0.18 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.445 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.413 ' N ' ' C ' ' A' ' 3' ' ' GLN . 58.3 tp -46.02 -33.43 3.4 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.419 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.5 p -54.98 -35.34 64.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.084 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.448 HE22 ' HD2' ' A' ' 97' ' ' PRO . 85.6 mt-30 -56.35 -39.34 72.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.265 179.481 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.432 ' CD2' H112 ' A' ' 1' ' ' MYR . 63.7 t-80 -57.89 -49.35 77.03 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -49.8 -33.13 15.66 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.303 -0.559 . . . . 0.0 109.878 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -75.98 -49.22 18.29 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.248 178.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.674 ' CE1' HD23 ' A' ' 15' ' ' LEU . 87.8 t80 -52.11 -40.72 61.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.85 0.357 . . . . 0.0 110.26 -179.254 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.4 t -61.29 -51.49 72.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 120.331 -0.548 . . . . 0.0 110.845 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -67.74 -39.94 84.2 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.073 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.523 ' O ' ' N ' ' A' ' 17' ' ' GLN . 65.5 tp60 -69.51 -71.59 0.22 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.335 -179.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.674 HD23 ' CE1' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -38.51 -47.83 1.33 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.452 -179.12 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.715 ' HZ1' ' HG ' ' A' ' 31' ' ' LEU . 74.4 mttt -60.71 -41.71 95.76 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.596 178.67 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.523 ' N ' ' O ' ' A' ' 14' ' ' GLN . 63.0 mt-30 -62.38 -57.75 10.16 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 120.527 -0.469 . . . . 0.0 109.865 179.059 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.471 ' O ' HG23 ' A' ' 21' ' ' THR . . . -53.18 -16.49 1.23 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 121.071 0.462 . . . . 0.0 109.854 179.108 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.582 HD22 HG21 ' A' ' 24' ' ' VAL . 3.2 mt -87.86 -50.66 6.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.55 178.273 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -41.51 -41.42 2.1 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.499 -178.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.471 HG23 ' O ' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -61.0 -33.0 72.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.581 179.714 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 19' ' ' LEU . 73.1 mmt-85 -67.36 -6.78 20.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.462 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.97 22.63 8.22 Favored Glycine 0 N--CA 1.467 0.758 0 N-CA-C 111.274 -0.731 . . . . 0.0 111.274 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.622 HG12 ' N ' ' A' ' 25' ' ' LYS . 16.8 t -105.74 170.14 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.629 0.252 . . . . 0.0 110.687 -179.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.622 ' N ' HG12 ' A' ' 24' ' ' VAL . 98.5 mttt -112.63 150.9 30.77 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.61 179.451 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.779 ' O ' HG23 ' A' ' 26' ' ' VAL . 15.4 m -127.95 88.12 1.18 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-O 121.196 0.522 . . . . 0.0 110.561 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.454 ' HG2' ' H ' ' A' ' 28' ' ' TYR . 17.0 ttmt -109.76 163.64 13.31 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.464 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.454 ' H ' ' HG2' ' A' ' 27' ' ' LYS . 97.2 m-85 -57.73 -36.09 71.59 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.029 0.442 . . . . 0.0 110.235 179.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.19 -23.17 62.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.749 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.417 ' CB ' ' HZ3' ' A' ' 16' ' ' LYS . 86.3 m-20 -71.01 -44.11 66.57 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.766 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.715 ' HG ' ' HZ1' ' A' ' 16' ' ' LYS . 4.6 mp -60.77 -41.3 95.24 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-O 120.935 0.398 . . . . 0.0 110.3 -179.31 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.1 mt -52.81 -53.87 42.29 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 119.705 -0.798 . . . . 0.0 111.123 -179.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 37' ' ' PHE . 89.0 tttt -71.84 -52.37 17.77 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -178.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.548 ' O ' HG22 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -61.71 -37.9 85.89 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -178.346 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.466 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 8.1 t80 -71.64 -48.15 49.75 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.14 179.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -77.19 -23.4 51.51 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.025 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.465 ' CB ' ' O ' ' A' ' 33' ' ' LYS . 14.9 t80 -62.66 -51.69 66.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.976 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.548 HG22 ' O ' ' A' ' 34' ' ' PHE . 6.8 m -74.37 -33.01 32.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.568 179.464 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.511 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 80.2 tttt -57.81 -29.96 65.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.663 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -46.01 -58.45 3.57 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.735 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 78.0 p -114.95 -4.42 12.58 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.871 0.367 . . . . 0.0 111.01 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.52 ' N ' ' O ' ' A' ' 38' ' ' VAL . 3.3 m 42.41 65.7 4.84 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.799 -178.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.585 ' C ' ' H ' ' A' ' 45' ' ' PHE . 26.4 Cg_exo -63.47 -29.12 71.11 Favored 'Trans proline' 0 N--CA 1.497 1.722 0 C-N-CA 122.771 2.314 . . . . 0.0 112.126 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.642 ' CE2' H142 ' A' ' 1' ' ' MYR . 1.7 m-90 -66.94 24.63 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.029 -179.502 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.585 ' H ' ' C ' ' A' ' 43' ' ' PRO . 55.5 m-85 41.48 82.5 0.22 Allowed Pre-proline 0 N--CA 1.455 -0.207 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -54.52 -5.94 0.5 Allowed 'Trans proline' 0 N--CA 1.492 1.394 0 C-N-CA 122.109 1.873 . . . . 0.0 112.485 -178.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.416 ' H ' ' C ' ' A' ' 45' ' ' PHE . 93.0 mm-40 -83.07 -56.76 3.6 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.479 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.506 ' O ' ' H51' ' A' ' 1' ' ' MYR . 2.3 pt-20 -91.83 -23.66 19.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.57 178.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.448 ' O ' ' H81' ' A' ' 1' ' ' MYR . . . 61.36 77.26 0.2 Allowed Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.614 -0.995 . . . . 0.0 110.614 -179.214 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.431 ' O ' ' CD1' ' A' ' 44' ' ' TRP . 9.1 t -145.61 171.04 15.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.934 0.397 . . . . 0.0 111.066 -179.302 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.463 ' HB ' HD11 ' A' ' 90' ' ' ILE . 0.8 OUTLIER -98.71 140.76 17.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.81 179.386 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -133.88 122.72 23.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.896 0.379 . . . . 0.0 110.527 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.1 mm -69.71 -41.07 79.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.103 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -64.68 -51.94 59.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.047 0.451 . . . . 0.0 110.931 -179.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 31.2 ttt85 -67.99 -39.15 83.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.431 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 44.7 t-105 -56.36 -35.8 68.09 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.244 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 63.6 ttm-85 -67.75 -41.61 83.09 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.224 179.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.514 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 78.6 mtp85 -60.22 -50.2 74.6 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.389 -179.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.4 HG13 ' N ' ' A' ' 60' ' ' GLY . 3.8 p -64.1 -40.52 89.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.832 0.349 . . . . 0.0 110.228 179.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.4 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -64.61 -53.18 36.76 Favored Glycine 0 CA--C 1.529 0.947 0 C-N-CA 121.145 -0.55 . . . . 0.0 111.845 -179.538 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.566 ' OD1' ' N ' ' A' ' 62' ' ' CYS . 14.4 p30 -68.23 -26.31 65.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.838 0.352 . . . . 0.0 110.827 -179.566 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.566 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 8.1 m -65.04 -40.9 95.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.287 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -81.62 -35.85 29.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.947 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -65.42 -43.36 90.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.551 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.476 ' O ' HG23 ' A' ' 69' ' ' THR . 34.0 t0 -63.34 -50.65 69.16 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.474 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.406 ' O ' ' OG1' ' A' ' 69' ' ' THR . 63.8 t80 -64.33 -41.06 96.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.713 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -67.29 -36.36 81.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 71' ' ' GLY . 1.2 m120 -62.91 -39.87 95.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.257 -179.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 65' ' ' ASP . 68.1 p -50.05 -20.05 0.87 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.771 -179.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -89.58 14.4 11.64 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.523 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 40.38 58.69 2.41 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 -179.371 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.437 ' O ' HG23 ' A' ' 75' ' ' VAL . 59.0 Cg_endo -78.23 132.33 11.34 Favored 'Trans proline' 0 C--N 1.309 -1.505 0 C-N-CA 122.855 2.37 . . . . 0.0 112.491 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -87.0 -37.75 17.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.278 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.478 ' O ' ' C ' ' A' ' 75' ' ' VAL . 12.5 mptt -60.54 -45.8 92.53 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.325 -178.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.495 HG12 ' O ' ' A' ' 75' ' ' VAL . 60.6 t 29.37 82.82 0.2 Allowed Pre-proline 0 N--CA 1.466 0.337 0 O-C-N 123.543 0.527 . . . . 0.0 111.011 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -54.07 125.85 20.14 Favored 'Trans proline' 0 C--N 1.311 -1.432 0 C-N-CA 121.681 1.587 . . . . 0.0 111.604 -179.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.5 t -82.78 -16.98 11.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.419 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 70.2 p -46.83 -30.86 2.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.987 0.422 . . . . 0.0 110.019 -179.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.97 -30.23 65.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.835 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -71.28 -37.15 71.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.064 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 78.1 p -66.02 -42.29 89.84 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.54 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 13.5 m-85 -61.16 -45.83 93.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.716 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 38.5 m0 -56.4 -47.59 78.68 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.968 -178.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -65.22 -42.05 93.81 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.864 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 55.7 tp -68.04 -63.14 1.12 Allowed 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.885 -179.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -50.34 -36.93 13.84 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.307 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 48.6 tttt -55.07 -46.12 75.4 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.895 -178.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.22 -19.33 43.44 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.988 -179.462 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.561 HD13 ' O ' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -60.68 -44.7 96.18 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.75 -177.784 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.463 HD11 ' HB ' ' A' ' 51' ' ' ILE . 19.4 mt -62.79 -42.88 97.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 C-N-CA 119.963 -0.695 . . . . 0.0 109.709 -179.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -43.55 -29.18 0.45 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.541 -178.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.449 ' O ' HG23 ' A' ' 95' ' ' VAL . 32.7 tttp -63.84 132.43 50.82 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -80.97 -4.42 54.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.717 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -94.69 43.44 1.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.687 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 92' ' ' LYS . 46.6 t -72.4 136.82 24.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 0.0 109.986 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.455 ' OD1' ' N ' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -39.83 164.27 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.116 -179.272 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.515 ' O ' ' N ' ' A' ' 99' ' ' VAL . 52.5 Cg_exo -45.75 -20.63 0.72 Allowed 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 122.813 2.342 . . . . 0.0 112.125 179.105 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 102' ' ' ALA . 2.9 pt20 -46.22 -13.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.531 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.519 ' O ' HG23 ' A' ' 103' ' ' VAL . 68.3 t -58.81 -47.44 89.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.64 -0.255 . . . . 0.0 110.67 -179.027 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 95.1 mtp -64.98 -41.31 95.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.067 0.46 . . . . 0.0 110.516 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.1 -17.5 58.65 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.785 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 98' ' ' GLN . . . -89.31 -36.63 15.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.474 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 99' ' ' VAL . 24.3 t -57.68 -42.63 82.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.271 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.17 -30.4 26.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.348 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -53.98 -31.12 49.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.42 -179.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.438 ' O ' ' O ' ' A' ' 103' ' ' VAL . 47.1 p -133.46 158.44 43.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.661 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -94.51 149.08 21.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.467 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -75.25 121.47 22.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.057 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 38.9 pt -55.01 -29.71 22.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.403 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 56.3 mt -65.03 -34.89 79.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.396 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.482 ' O ' ' O ' ' A' ' 114' ' ' SER . 84.7 tttt -62.49 -6.48 3.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.297 0.57 . . . . 0.0 110.249 -179.482 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 14.2 t -61.6 -46.4 90.0 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.416 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 113' ' ' ASN . 47.9 t-20 -66.53 -42.5 87.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.943 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.482 ' O ' ' O ' ' A' ' 111' ' ' LYS . 3.2 m -160.24 -155.18 0.42 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.459 -179.63 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -68.2 -39.15 82.52 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 21.7 p -142.76 169.1 18.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.62 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.433 ' OD2' ' N ' ' A' ' 117' ' ' ASP . 19.6 p-10 -62.86 -43.38 98.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.211 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.43 ' N ' HD12 ' A' ' 118' ' ' LEU . 10.9 mp -64.0 -42.47 97.15 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.675 179.064 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 54.49 67.38 1.02 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.237 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 16.7 t-80 -105.57 104.11 13.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.866 0.365 . . . . 0.0 110.142 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 56.8 t60 -81.28 128.97 34.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.402 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 72.2 m80 -78.66 130.39 35.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.421 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -62.7 -40.7 97.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.535 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -135.44 145.94 47.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.54 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.652 179.855 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . 0.77 H122 ' CD1' ' A' ' 11' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.588 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -65.58 -25.61 67.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.897 0.379 . . . . 0.0 110.426 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -51.03 -23.79 3.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.434 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.4 tp -44.01 -25.76 0.23 Allowed 'General case' 0 C--O 1.238 0.449 0 CA-C-O 121.204 0.526 . . . . 0.0 110.337 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.2 p -56.0 -33.3 64.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.279 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -56.12 -47.35 78.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.229 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.607 ' CD2' HG23 ' A' ' 12' ' ' VAL . 7.0 t-160 -57.25 -50.53 72.61 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.859 0.361 . . . . 0.0 110.059 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -46.23 -36.49 6.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.063 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.413 ' O ' ' CB ' ' A' ' 14' ' ' GLN . 58.3 ttt85 -76.88 -47.33 21.51 Favored 'General case' 0 C--O 1.21 -1.023 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.433 178.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.77 ' CD1' H122 ' A' ' 1' ' ' MYR . 70.6 t80 -54.59 -47.96 72.7 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.309 0.576 . . . . 0.0 110.502 -178.522 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.607 HG23 ' CD2' ' A' ' 8' ' ' HIS . 34.1 t -61.82 -53.9 41.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 C-N-CA 120.146 -0.621 . . . . 0.0 111.662 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -69.33 -45.12 70.25 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.082 0.468 . . . . 0.0 111.878 -179.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.584 ' O ' ' N ' ' A' ' 17' ' ' GLN . 61.6 tp60 -67.54 -73.68 0.13 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.745 -179.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.553 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -37.26 -46.4 0.73 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -178.287 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.617 ' HB3' HG11 ' A' ' 26' ' ' VAL . 63.8 mttt -60.78 -40.21 91.7 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.716 178.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.584 ' N ' ' O ' ' A' ' 14' ' ' GLN . 48.0 mm-40 -66.47 -58.65 4.81 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.113 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.624 ' O ' HG22 ' A' ' 21' ' ' THR . . . -50.33 -15.99 0.29 Allowed 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.095 179.097 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.465 ' CD1' ' CZ ' ' A' ' 82' ' ' TYR . 3.1 mt -85.07 -47.7 9.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.114 178.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.467 ' CE ' HG22 ' A' ' 26' ' ' VAL . 97.8 mttt -46.48 -34.67 4.97 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.478 -179.538 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.624 HG22 ' O ' ' A' ' 18' ' ' ALA . 3.2 t -57.32 -33.47 67.75 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.429 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 92.6 mtt-85 -73.63 -13.75 61.05 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.532 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.02 30.49 3.92 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.596 HG12 ' N ' ' A' ' 25' ' ' LYS . 30.0 t -107.55 166.22 4.17 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 CA-C-O 120.789 0.328 . . . . 0.0 110.951 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.596 ' N ' HG12 ' A' ' 24' ' ' VAL . 98.6 mttt -135.2 143.24 46.31 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 179.077 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.617 HG11 ' HB3' ' A' ' 16' ' ' LYS . 4.1 m -123.49 124.59 69.99 Favored 'Isoleucine or valine' 0 C--O 1.231 0.113 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.804 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.57 ' HD3' ' H ' ' A' ' 29' ' ' ALA . 10.8 tmtt? -110.43 166.4 11.02 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.344 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -50.7 -42.08 56.62 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 121.19 0.519 . . . . 0.0 110.397 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.57 ' H ' ' HD3' ' A' ' 27' ' ' LYS . . . -63.18 -17.96 62.96 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.193 178.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.473 ' HB2' ' H ' ' A' ' 27' ' ' LYS . 20.7 t0 -68.93 -45.44 70.81 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.49 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.61 ' HG ' ' HZ1' ' A' ' 16' ' ' LYS . 5.8 mp -64.85 -41.39 95.74 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.198 0.523 . . . . 0.0 109.829 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 45.1 mt -58.62 -50.8 72.51 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 119.728 -0.789 . . . . 0.0 111.045 -178.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -73.76 -52.59 12.67 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.433 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.453 ' O ' HG22 ' A' ' 38' ' ' VAL . 78.1 t80 -58.99 -42.64 90.5 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -178.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.472 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 5.9 t80 -69.69 -43.1 73.15 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.798 179.46 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -73.43 -22.56 60.17 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.974 0.416 . . . . 0.0 110.787 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.69 -59.19 4.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.995 -179.472 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.523 ' O ' ' N ' ' A' ' 42' ' ' CYS . 2.6 m -66.02 -39.63 85.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.877 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -60.34 -25.43 65.81 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.817 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -54.89 -55.56 29.18 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.224 -179.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.7 p -114.18 -5.35 13.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.805 0.336 . . . . 0.0 110.81 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.566 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 1.5 m 45.18 57.21 15.22 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.365 -178.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.566 ' HD3' ' N ' ' A' ' 42' ' ' CYS . 18.4 Cg_exo -65.69 -39.9 19.21 Favored 'Trans proline' 0 C--N 1.308 -1.574 0 C-N-CA 122.408 2.072 . . . . 0.0 112.626 -178.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.683 ' CH2' ' CE3' ' A' ' 56' ' ' TRP . 0.5 OUTLIER -80.71 11.27 3.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.605 -179.587 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.66 ' HB2' ' HB1' ' A' ' 102' ' ' ALA . 3.1 m-85 42.16 51.93 6.56 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.097 -179.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 45' ' ' PHE . 6.7 Cg_endo -48.55 -4.7 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.665 0 C-N-CA 123.171 2.58 . . . . 0.0 111.944 179.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.561 ' H ' ' C ' ' A' ' 45' ' ' PHE . 87.0 mt-30 -55.16 -53.61 53.8 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.303 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.688 ' HG2' ' HB3' ' A' ' 101' ' ' ALA . 54.1 tp10 -92.56 -28.43 16.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.871 0.367 . . . . 0.0 110.404 178.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.682 ' CA ' ' H82' ' A' ' 1' ' ' MYR . . . 91.54 81.48 1.43 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 -178.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.9 t -144.73 166.71 24.44 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 121.121 -0.231 . . . . 0.0 110.471 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -110.97 139.52 34.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.182 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.646 ' H ' ' HE1' ' A' ' 44' ' ' TRP . 43.9 t0 -139.76 121.68 15.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.991 0.424 . . . . 0.0 110.442 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.414 HG22 ' NH2' ' A' ' 57' ' ' ARG . 33.2 mm -74.84 -40.18 46.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.36 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -63.58 -55.6 22.5 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.64 -178.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 85.4 mmt-85 -61.41 -34.27 75.1 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.265 -179.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.683 ' CE3' ' CH2' ' A' ' 44' ' ' TRP . 32.4 t-105 -57.65 -41.15 80.9 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.13 0.491 . . . . 0.0 110.578 -179.33 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.414 ' NH2' HG22 ' A' ' 53' ' ' ILE . 94.3 mtm-85 -64.99 -38.48 91.11 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.647 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.498 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 95.1 mtt180 -59.29 -49.12 79.03 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.117 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.5 p -70.32 -35.73 63.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.667 179.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -63.91 -44.92 95.35 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -73.08 -40.86 64.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.927 0.394 . . . . 0.0 110.65 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 93.9 m -61.32 -36.07 79.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.698 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -82.26 -41.54 20.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.499 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 52.9 tt0 -64.55 -41.04 96.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.471 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.661 ' O ' HG23 ' A' ' 69' ' ' THR . 29.9 t0 -64.24 -51.97 61.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.62 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.463 ' O ' ' OG1' ' A' ' 69' ' ' THR . 64.2 t80 -64.16 -42.66 96.65 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.096 0.474 . . . . 0.0 110.618 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.479 ' CZ ' ' CB ' ' A' ' 72' ' ' PRO . 51.4 t80 -66.09 -38.34 88.0 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.703 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 64' ' ' GLN . 1.2 m-80 -62.5 -41.13 98.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.177 -179.151 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.661 HG23 ' O ' ' A' ' 65' ' ' ASP . 81.3 p -48.55 -22.44 0.75 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.728 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -88.25 15.09 8.1 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.735 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 40.08 58.09 2.4 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.519 ' O ' HG23 ' A' ' 75' ' ' VAL . 66.4 Cg_endo -78.74 129.56 9.21 Favored 'Trans proline' 0 C--N 1.308 -1.576 0 C-N-CA 122.752 2.301 . . . . 0.0 112.358 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -88.31 -22.99 23.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.582 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.521 ' O ' ' C ' ' A' ' 75' ' ' VAL . 56.1 mmtt -66.32 -47.16 74.44 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.04 -179.044 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.521 ' C ' ' O ' ' A' ' 74' ' ' LYS . 58.7 t 20.62 79.75 0.16 Allowed Pre-proline 0 N--CA 1.464 0.256 0 O-C-N 124.185 0.928 . . . . 0.0 110.831 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -56.84 125.87 20.4 Favored 'Trans proline' 0 C--N 1.309 -1.536 0 C-N-CA 122.329 2.019 . . . . 0.0 111.768 -178.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.416 HG12 ' O ' ' A' ' 77' ' ' VAL . 86.3 t -83.25 -17.05 11.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.964 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 81.1 p -47.71 -20.81 0.31 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.539 -179.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' A' ' 77' ' ' VAL . . . -57.55 -23.6 51.41 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.175 0.512 . . . . 0.0 110.684 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.584 ' CE1' ' ND2' ' A' ' 84' ' ' ASN . 74.1 t80 -69.86 -28.95 66.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.739 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 55.0 m -71.19 -37.81 72.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.505 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.465 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 8.5 m-85 -60.77 -49.29 78.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.557 ' CD1' ' N ' ' A' ' 83' ' ' TRP . 6.1 m0 -60.28 -44.72 95.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 -179.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.584 ' ND2' ' CE1' ' A' ' 80' ' ' PHE . 67.0 m-20 -64.14 -43.76 94.25 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-O 120.914 0.388 . . . . 0.0 111.616 -179.593 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 55.7 tp -67.32 -62.36 1.46 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 120.818 0.342 . . . . 0.0 110.968 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.5 mt -54.04 -36.78 32.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.306 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.435 ' CB ' ' O ' ' A' ' 83' ' ' TRP . 50.5 tttt -52.62 -46.2 66.92 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -178.618 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.77 -19.77 44.11 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.568 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.594 HD13 ' O ' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -62.82 -47.47 83.27 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.55 -178.294 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.54 ' O ' ' N ' ' A' ' 92' ' ' LYS . 3.4 mt -63.66 -42.25 95.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.292 -179.336 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -42.39 -18.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.612 -178.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.54 ' N ' ' O ' ' A' ' 90' ' ' ILE . 97.1 mttt -73.03 143.87 47.35 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.742 178.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.414 ' C ' ' H ' ' A' ' 95' ' ' VAL . 99.4 mttt -86.33 -5.15 59.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.572 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -71.35 44.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 95' ' ' VAL . 19.5 m -121.71 131.68 72.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.332 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.581 ' O ' ' N ' ' A' ' 98' ' ' GLN . 0.0 OUTLIER -105.05 165.93 12.33 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.671 -179.729 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.568 ' O ' ' N ' ' A' ' 99' ' ' VAL . 71.2 Cg_exo -38.85 -17.73 0.04 OUTLIER 'Trans proline' 0 C--N 1.313 -1.321 0 C-N-CA 122.964 2.442 . . . . 0.0 112.133 179.024 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.581 ' N ' ' O ' ' A' ' 96' ' ' ASN . 7.5 pt20 -40.48 -20.53 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.593 0.711 . . . . 0.0 109.827 -178.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.568 ' N ' ' O ' ' A' ' 97' ' ' PRO . 86.3 t -63.07 -45.26 99.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.309 178.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.417 ' N ' ' O ' ' A' ' 97' ' ' PRO . 78.1 mtm -69.56 -39.49 77.36 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.197 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.688 ' HB3' ' HG2' ' A' ' 48' ' ' GLU . . . -60.35 -21.05 61.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.501 -179.648 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.66 ' HB1' ' HB2' ' A' ' 45' ' ' PHE . . . -83.53 -38.51 21.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.528 179.507 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.511 ' C ' ' H ' ' A' ' 105' ' ' GLN . 32.4 t -42.04 -20.48 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.525 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.515 ' O ' ' N ' ' A' ' 107' ' ' GLU . . . -51.74 -7.39 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.668 179.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.522 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 57.7 tt0 38.59 -93.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.47 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.51 ' N ' ' O ' ' A' ' 104' ' ' ALA . 20.8 p -116.69 -14.08 10.81 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.461 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' A' ' 104' ' ' ALA . 96.9 mt-10 -140.52 155.82 46.51 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.768 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 111' ' ' LYS . 91.5 mt-10 -77.56 124.24 27.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.201 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 40.1 pt -42.94 -27.6 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.503 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.495 HD12 ' OD1' ' A' ' 117' ' ' ASP . 96.4 mt -65.7 -41.41 92.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.448 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 108' ' ' GLU . 57.2 tttt -113.5 50.35 0.91 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.298 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 96.9 p -60.32 -21.38 61.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.689 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 -60.57 -42.74 97.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.462 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.7 t 176.64 147.78 0.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.678 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 57.59 -157.73 0.29 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.329 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.549 ' O ' ' N ' ' A' ' 118' ' ' LEU . 51.5 p -126.8 170.64 11.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.129 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.495 ' OD1' HD12 ' A' ' 110' ' ' LEU . 96.4 m-20 -39.11 -23.32 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.679 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.549 ' N ' ' O ' ' A' ' 116' ' ' THR . 77.8 mt -106.83 127.76 53.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.2 179.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.418 ' OE2' ' N ' ' A' ' 119' ' ' GLU . 58.0 mp0 -70.28 -30.5 67.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.536 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -115.88 153.47 31.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.618 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -111.66 150.81 29.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.538 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -65.51 -42.45 92.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.693 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -58.34 -40.93 83.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.442 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -59.64 -44.15 93.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.671 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 84.0 t60 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.53 179.976 . . . . . . . . 0 0 . 1 stop_ save_