data_2lxm_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 2lxm _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 27.3 mt . . . . . 0 CA--C 1.519 -0.234 0 CA-C-O 121.062 0.458 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.54 151.84 76.36 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.728 -179.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -68.91 154.75 70.37 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.661 2.241 . . . . 0.0 111.938 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.09 151.11 69.66 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.063 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -60.34 166.64 9.03 Favored 'Trans proline' 0 N--CA 1.495 1.594 0 C-N-CA 122.49 2.127 . . . . 0.0 112.115 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -38.08 131.81 0.88 Allowed 'Trans proline' 0 C--N 1.311 -1.437 0 C-N-CA 122.654 2.236 . . . . 0.0 111.312 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.8 tp -97.23 112.12 60.01 Favored Pre-proline 0 CA--C 1.541 0.632 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.975 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_exo -54.71 163.57 3.83 Favored 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 122.581 2.187 . . . . 0.0 112.14 177.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.89 -23.88 65.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.043 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -60.12 -11.36 5.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.752 -179.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -122.46 28.33 7.44 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 121.195 0.522 . . . . 0.0 110.65 -179.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.2 pttt -63.09 -31.1 72.16 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.65 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.7 m -63.93 -44.79 91.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.775 0.321 . . . . 0.0 111.657 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.6 pt -87.18 -9.9 11.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.964 -179.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -49.82 -48.72 50.66 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.954 -179.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -65.11 -40.59 94.75 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.036 0.446 . . . . 0.0 110.852 -178.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -57.58 -42.49 83.24 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.327 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 59.0 mt -63.08 -44.53 95.5 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.532 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -62.34 -38.53 89.84 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.27 0.557 . . . . 0.0 110.586 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 90.0 m -60.91 -42.2 97.59 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.928 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.21 -39.64 94.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.509 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -55.15 -42.4 73.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.953 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -72.81 -48.97 33.42 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.427 0.632 . . . . 0.0 110.704 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.434 ' O ' ' O ' ' A' ' 31' ' ' ASP . 15.8 m80 -64.03 -25.3 68.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.187 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -53.34 -45.44 69.11 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.341 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -75.94 -48.61 20.54 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.85 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -63.08 -50.77 69.25 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.967 0.413 . . . . 0.0 110.783 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.434 ' O ' ' O ' ' A' ' 27' ' ' HIS . 5.6 m-20 -153.99 116.24 2.6 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.895 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -70.24 -19.89 33.26 Favored 'Trans proline' 0 C--N 1.313 -1.297 0 C-N-CA 122.141 1.894 . . . . 0.0 112.345 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 83.0 t -61.34 -50.84 78.79 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.927 -179.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 57.8 t -68.37 -43.12 84.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.012 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.88 -39.33 88.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.69 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.551 ' CD2' ' CD1' ' A' ' 80' ' ' ILE . 77.9 t80 -60.44 -53.95 51.47 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.232 0.539 . . . . 0.0 110.705 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -62.71 -34.37 77.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.095 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.5 m -60.27 -44.96 94.87 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.151 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -60.27 -38.76 84.57 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.7 tp -57.7 -44.79 86.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.981 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.54 ' CE1' ' OD1' ' A' ' 126' ' ' ASP . 65.0 t80 -57.68 -46.65 84.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.119 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.34 -52.7 63.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.809 -179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.8 ttp -57.51 -46.52 83.69 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.671 -179.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -63.47 -41.77 98.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.349 0.595 . . . . 0.0 110.718 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.0 m -72.08 -34.96 69.08 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.497 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -60.75 -49.13 81.96 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 111.769 -0.532 . . . . 0.0 111.769 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.59 ' SD ' ' N ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -68.99 -34.8 75.88 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-O 121.012 0.434 . . . . 0.0 110.022 179.681 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.59 ' N ' ' SD ' ' A' ' 47' ' ' MET . 88.7 tttt -62.35 -43.46 98.76 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.481 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.436 HD11 HG22 ' A' ' 49' ' ' ILE . 93.3 mt -67.33 -46.59 83.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.731 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.563 ' O ' ' O ' ' A' ' 47' ' ' MET . 4.8 p-10 -142.97 -148.75 0.24 Allowed 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.571 -178.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 50' ' ' ASP . 1.7 m 157.44 14.31 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.612 ' O ' ' O ' ' A' ' 53' ' ' THR . 60.4 tttt -125.85 -139.73 0.28 Allowed 'General case' 0 CA--C 1.515 -0.375 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.612 ' O ' ' O ' ' A' ' 52' ' ' LYS . 0.6 OUTLIER 38.61 113.43 0.0 OUTLIER Pre-proline 0 CA--C 1.541 0.613 0 O-C-N 124.415 1.072 . . . . 0.0 111.071 -179.722 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -40.52 -27.55 0.28 Allowed 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 121.588 1.525 . . . . 0.0 112.251 -179.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 53' ' ' THR . 44.4 mt-10 -67.43 -45.25 76.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.911 0.386 . . . . 0.0 110.19 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.56 ' SG ' ' OD2' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -71.45 -53.58 13.5 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.257 179.748 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -47.46 -46.84 27.19 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.359 -178.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm -66.58 -42.03 87.65 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.94 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -58.99 -46.47 88.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.756 -179.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.87 -41.45 99.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.269 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.498 ' HG ' ' N ' ' A' ' 62' ' ' LYS . 52.9 p -58.94 -44.28 91.35 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.363 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.498 ' N ' ' HG ' ' A' ' 61' ' ' SER . 28.5 tptp -65.19 -44.48 88.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.45 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 35.7 tp -61.81 -43.04 99.65 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.868 -178.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.7 ttt -61.59 -41.81 97.97 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.391 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -60.29 -41.31 93.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.654 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -63.52 -40.56 97.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.414 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.9 mt -62.13 -44.34 96.85 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.23 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -62.9 -46.48 87.6 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.68 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.67 -41.41 99.07 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.424 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.31 -46.63 89.51 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.414 -0.515 . . . . 0.0 110.581 -178.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -58.3 -42.53 86.84 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.143 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? -63.71 -42.18 97.99 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.953 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -54.2 -50.03 68.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.686 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 70.0 mt -67.3 -29.48 69.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.605 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.66 -85.76 1.42 Allowed Glycine 0 N--CA 1.452 -0.256 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.5 ' O ' ' O ' ' A' ' 77' ' ' ASN . 0.0 OUTLIER -115.7 -64.95 1.24 Allowed 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.813 0.34 . . . . 0.0 110.401 -178.775 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.5 ' O ' ' O ' ' A' ' 76' ' ' ASP . 44.4 t-20 50.58 113.63 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.451 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -51.25 -30.92 19.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.908 0.385 . . . . 0.0 110.295 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.414 ' N ' ' OD1' ' A' ' 77' ' ' ASN . . . -69.04 -32.19 71.52 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.131 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.551 ' CD1' ' CD2' ' A' ' 36' ' ' TYR . 7.7 mm -93.26 -49.22 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.013 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.41 -52.87 59.77 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.325 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -99.0 98.07 9.15 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.231 0.539 . . . . 0.0 110.313 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.576 ' CD ' ' H ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -59.91 -21.07 60.62 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.804 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 84.6 mt -58.53 -51.75 67.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.129 -179.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.0 m -74.29 -36.21 42.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.899 0.38 . . . . 0.0 110.497 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -61.34 -45.17 97.0 Favored Glycine 0 CA--C 1.52 0.357 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 3.0 t -64.75 -49.88 69.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.876 0.369 . . . . 0.0 110.418 179.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.09 -39.36 72.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.409 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -63.77 -43.67 95.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.742 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.2 mt -60.95 -41.74 96.91 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.379 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -61.24 -43.86 98.19 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.459 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -64.08 -41.27 97.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.766 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -60.01 -47.89 83.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.383 -179.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.37 -41.12 98.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.427 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 8.3 mt -61.79 -46.24 90.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.32 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -60.09 -43.88 95.21 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.601 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 24.3 tpp -63.94 -46.72 83.46 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.396 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.547 ' CE2' ' OD2' ' A' ' 102' ' ' ASP . 37.1 t80 -62.29 -52.72 62.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.303 -179.112 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.61 -40.85 72.64 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.109 -178.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -56.55 -47.4 79.55 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.005 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.45 -40.24 93.01 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 121.178 0.513 . . . . 0.0 110.392 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.547 ' OD2' ' CE2' ' A' ' 98' ' ' PHE . 85.8 m-20 -64.59 -38.51 91.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.341 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -60.37 -47.49 85.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.033 0.444 . . . . 0.0 110.185 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -72.26 -26.47 62.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.66 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -60.87 -52.25 65.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 48.8 ptt85 -72.91 -28.5 62.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.801 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.86 -14.09 50.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.368 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 81.23 32.71 30.85 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.553 ' O ' ' SD ' ' A' ' 114' ' ' MET . 28.6 ttm180 -125.18 106.01 9.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.628 0.252 . . . . 0.0 110.562 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.486 ' O ' ' CG ' ' A' ' 111' ' ' HIS . 24.3 m-85 -111.87 142.26 44.47 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.168 -179.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.486 ' CG ' ' O ' ' A' ' 110' ' ' PHE . 51.3 m-70 -163.29 171.0 16.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.266 0.555 . . . . 0.0 110.407 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.0 -34.17 76.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.616 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.461 ' OD1' ' N ' ' A' ' 114' ' ' MET . 5.0 p30 -57.8 -45.52 85.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.187 0.518 . . . . 0.0 110.395 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.553 ' SD ' ' O ' ' A' ' 109' ' ' ARG . 72.9 mtp -64.55 -38.07 89.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.697 179.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 96.5 mt -57.06 -42.19 78.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -65.18 -37.73 88.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.29 178.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 42.2 m -58.83 -47.31 85.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.959 -178.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -63.09 -50.12 71.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 110.701 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.455 ' O ' ' OG ' ' A' ' 122' ' ' SER . 28.4 t80 -62.01 -49.35 76.39 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.378 0.608 . . . . 0.0 110.493 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 95.3 m -57.76 -41.68 82.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.762 -179.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -57.65 -37.45 73.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.223 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.629 ' HG ' ' N ' ' A' ' 123' ' ' LEU . 36.3 p -62.0 -41.24 97.84 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.131 0.491 . . . . 0.0 110.398 179.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.629 ' N ' ' HG ' ' A' ' 122' ' ' SER . 54.3 mt -61.53 -39.26 90.4 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.072 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -62.68 -41.93 99.36 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.599 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.431 HG23 HH21 ' A' ' 142' ' ' ARG . 96.8 mt -58.57 -41.96 83.41 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.084 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.54 ' OD1' ' CE1' ' A' ' 41' ' ' TYR . 18.7 t0 -58.87 -42.87 90.5 Favored 'General case' 0 C--O 1.254 1.341 0 CA-C-O 122.018 0.913 . . . . 0.0 110.26 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.471 ' O ' HG23 ' A' ' 130' ' ' VAL . 97.6 t -61.68 -25.94 38.3 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.653 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.294 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 96.7 mt -76.11 -40.7 37.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.462 0.649 . . . . 0.0 110.233 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.684 ' HG1' ' N ' ' A' ' 130' ' ' VAL . 18.0 p -58.01 -40.76 81.59 Favored 'General case' 0 CA--C 1.511 -0.534 0 O-C-N 121.789 -0.569 . . . . 0.0 111.378 -177.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.684 ' N ' ' HG1' ' A' ' 129' ' ' THR . 11.9 m -44.26 -29.0 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.839 -179.309 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -63.07 -29.4 70.78 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 120.885 0.374 . . . . 0.0 110.3 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 111.97 -15.16 26.13 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.459 ' O ' ' CB ' ' A' ' 134' ' ' LEU . 84.7 mt-10 -77.85 -127.5 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.814 0.34 . . . . 0.0 110.314 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.459 ' CB ' ' O ' ' A' ' 133' ' ' GLU . 0.4 OUTLIER 81.64 101.89 0.06 Allowed 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.553 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 11.7 p -94.87 168.04 11.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.832 179.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -54.63 -37.1 65.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.255 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -52.74 -50.98 62.35 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.095 0.474 . . . . 0.0 110.748 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -62.46 -38.04 88.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.192 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 94.1 t -59.98 -44.39 94.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.007 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -58.31 -41.81 85.32 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 6.3 m170 -64.09 -43.16 96.23 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.888 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . 0.431 HH21 HG23 ' A' ' 125' ' ' ILE . 27.0 ttm180 -57.57 -43.92 84.89 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.146 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 10.6 ttmm -62.87 -37.38 86.64 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.471 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -71.14 -42.73 68.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.603 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -61.45 -45.31 94.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.722 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 54.4 mtt-85 -64.31 -43.65 94.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.961 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 31.2 t90 -65.23 -46.81 79.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.579 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 9.4 ttmm -64.04 -34.4 77.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.824 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -63.13 -50.38 70.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.588 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 56.7 p -75.25 -41.24 57.86 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.183 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -51.81 -50.53 60.61 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.232 -178.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 84.1 mt -67.41 -44.01 87.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.727 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 46.8 t60 -63.71 -45.15 91.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.764 -178.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' ASN . . . . . 0.441 ' ND2' ' OE1' ' B' ' 166' ' ' GLU . 20.3 t-20 -62.87 -42.88 99.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.475 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 84.4 m -65.74 -33.86 76.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.21 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.92 -46.12 91.93 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 121.084 0.469 . . . . 0.0 110.096 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 31.7 mttm -64.36 -36.36 83.88 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.689 -178.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 73.0 m-80 -69.6 -18.87 63.65 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.668 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 83.96 46.26 6.01 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -129.04 141.83 51.1 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.958 0.408 . . . . 0.0 110.572 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' THR . . . . . 0.426 ' O ' ' CG2' ' A' ' 161' ' ' THR . 11.3 t -78.61 123.34 85.52 Favored Pre-proline 0 CA--C 1.541 0.601 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.751 -179.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_exo -46.62 166.6 0.07 OUTLIER 'Trans proline' 0 N--CA 1.495 1.575 0 C-N-CA 122.52 2.147 . . . . 0.0 112.358 179.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.202 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.34 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 -0.049 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -131.24 150.71 77.26 Favored Pre-proline 0 CA--C 1.536 0.411 0 C-N-CA 121.197 -0.201 . . . . 0.0 110.626 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -77.78 163.01 29.32 Favored 'Trans proline' 0 C--N 1.314 -1.275 0 C-N-CA 122.84 2.36 . . . . 0.0 111.956 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 157' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -61.4 126.41 27.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.125 0.488 . . . . 0.0 109.783 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 24.7 mt -109.52 138.62 45.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.506 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -84.16 114.17 21.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.05 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 160' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -57.71 -34.57 69.59 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.19 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 161' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -67.0 -62.69 1.31 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.316 0.579 . . . . 0.0 111.492 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 162' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' B' ' 162' ' ' ASP . 0.7 OUTLIER -62.21 -38.65 89.97 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.796 -179.47 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 15.9 tp -56.87 -43.31 81.09 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 123.427 0.454 . . . . 0.0 110.434 -178.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.06 -34.63 78.08 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.409 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 165' ' ' ALA . . . . . . . . . . . . . . . -61.1 -47.58 85.65 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.204 0.526 . . . . 0.0 111.288 -179.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 166' ' ' GLU . . . . . 0.441 ' OE1' ' ND2' ' A' ' 154' ' ' ASN . 0.0 OUTLIER -68.83 -39.2 80.12 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.115 -179.399 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.97 -53.76 53.3 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.117 -0.633 . . . . 0.0 110.14 -178.478 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 168' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -53.7 -44.65 69.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.075 -178.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -58.2 -47.78 82.41 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.781 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 10.4 tp -57.68 -46.29 84.48 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.384 -178.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -54.37 -42.81 75.52 Favored Glycine 0 CA--C 1.525 0.67 0 C-N-CA 120.461 -0.876 . . . . 0.0 111.102 -179.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 172' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.0 -47.13 86.18 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.071 0.462 . . . . 0.0 111.226 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -59.94 -51.68 68.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.58 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 9.0 mp -63.4 -34.27 77.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.274 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 4.9 tt -61.7 -32.1 72.28 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.699 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.965 -179.791 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 182' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 . . . . . 0 C--O 1.236 0.359 0 CA-C-O 120.835 0.35 . . . . 0.0 110.505 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 183' ' ' LEU . . . . . . . . . . . . . 2.0 tt -60.38 -45.09 94.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.132 0.491 . . . . 0.0 109.962 -179.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 184' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -67.19 -27.11 66.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.832 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -63.89 -54.17 39.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.476 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 186' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.069 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.434 ' N ' ' CD1' ' A' ' 4' ' ' LEU . 10.1 mp . . . . . 0 CA--C 1.515 -0.399 0 CA-C-O 121.203 0.525 . . . . 0.0 110.501 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.39 150.69 32.13 Favored Pre-proline 0 N--CA 1.445 -0.692 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.03 -178.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_exo -59.46 148.45 86.88 Favored 'Trans proline' 0 N--CA 1.501 1.954 0 C-N-CA 122.618 2.212 . . . . 0.0 112.647 178.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 19.4 mt -73.27 154.33 90.26 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.637 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -55.22 166.92 2.03 Favored 'Trans proline' 0 N--CA 1.493 1.494 0 C-N-CA 122.526 2.151 . . . . 0.0 112.283 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -40.54 125.65 2.04 Favored 'Trans proline' 0 C--N 1.312 -1.36 0 C-N-CA 122.445 2.097 . . . . 0.0 111.749 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.8 tt -93.33 113.76 60.97 Favored Pre-proline 0 CA--C 1.543 0.696 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.742 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -76.77 161.5 33.47 Favored 'Trans proline' 0 N--CA 1.494 1.517 0 C-N-CA 122.639 2.226 . . . . 0.0 112.304 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.74 -21.35 62.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.329 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -54.57 -42.06 70.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -101.88 43.01 1.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.677 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -82.75 -28.36 30.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.89 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 83.5 p -70.01 -12.71 61.81 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.624 -179.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.2 pt -114.04 -1.56 9.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.446 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -56.35 -41.01 75.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.709 -179.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.5 m80 -58.87 -36.98 75.52 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.581 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -67.9 -45.42 74.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.385 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 63.0 mt -62.2 -41.29 98.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.64 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -68.98 -45.19 71.27 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.944 0.402 . . . . 0.0 111.063 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.8 m -62.66 -43.29 99.19 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.67 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 28' ' ' ASP . . . -63.55 -47.89 79.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.087 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 72.3 mm-40 -53.53 -41.27 66.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 0.0 110.777 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -68.82 -55.57 10.76 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.255 0.55 . . . . 0.0 110.113 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.489 ' O ' ' N ' ' A' ' 31' ' ' ASP . 0.9 OUTLIER -66.59 -18.67 65.49 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.98 -179.18 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 24' ' ' ALA . 41.4 t0 -57.77 -35.87 71.36 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.115 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 52.3 tttm -70.68 -39.36 73.57 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.334 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -83.59 -58.25 2.89 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 27' ' ' HIS . 53.7 m-20 -121.55 101.39 43.36 Favored Pre-proline 0 CA--C 1.543 0.68 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.168 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -72.31 -25.25 18.75 Favored 'Trans proline' 0 N--CA 1.492 1.384 0 C-N-CA 122.182 1.921 . . . . 0.0 111.702 -179.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 62.2 t -64.3 -48.31 85.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.025 0.44 . . . . 0.0 110.656 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 97.3 t -64.71 -44.07 96.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.714 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.56 -36.7 83.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.524 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -58.89 -50.83 72.53 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.071 0.462 . . . . 0.0 110.014 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -68.86 -37.29 79.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.491 179.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 5.6 t -58.57 -48.39 81.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.478 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.46 -41.52 97.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.978 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 tp -57.64 -44.48 85.63 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.178 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -58.31 -43.68 88.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.219 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.15 -51.03 71.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.538 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 44.1 ttp -55.95 -45.85 78.73 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 121.084 0.469 . . . . 0.0 110.305 -178.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -63.27 -47.47 82.25 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.757 0.789 . . . . 0.0 110.917 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.8 m -68.46 -23.02 64.54 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.334 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -67.77 -48.37 55.85 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.463 ' HG3' ' N ' ' A' ' 48' ' ' LYS . 2.2 ptt? -65.17 -35.64 81.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.04 0.448 . . . . 0.0 110.216 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.463 ' N ' ' HG3' ' A' ' 47' ' ' MET . 51.0 mttp -65.31 -43.51 90.82 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.576 -179.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 79.0 mt -69.51 -48.24 67.54 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.137 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.431 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.482 ' OD2' ' SG ' ' A' ' 56' ' ' CYS . 0.3 OUTLIER -67.92 176.84 2.39 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 121.142 0.496 . . . . 0.0 110.04 -178.762 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.3 t -136.0 49.21 2.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.763 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 49.3 tttp 59.31 89.55 0.06 Allowed 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.436 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -143.6 150.86 52.27 Favored Pre-proline 0 CA--C 1.533 0.318 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.529 179.522 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -45.42 -43.46 17.43 Favored 'Trans proline' 0 C--N 1.313 -1.296 0 C-N-CA 122.254 1.97 . . . . 0.0 112.431 179.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 21.4 mp0 -59.68 -55.86 29.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.604 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.482 ' SG ' ' OD2' ' A' ' 50' ' ' ASP . 46.6 t -61.76 -33.63 74.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.469 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -58.39 -49.63 76.58 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.775 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.444 ' O ' ' OG ' ' A' ' 61' ' ' SER . 63.0 mttp -69.15 -40.87 77.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.178 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -61.75 -49.82 74.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.332 -178.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.4 mp -64.17 -40.38 95.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.358 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.444 ' OG ' ' O ' ' A' ' 58' ' ' LYS . 80.6 p -58.97 -44.52 91.54 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.496 -0.482 . . . . 0.0 110.374 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -68.1 -44.34 76.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.993 0.425 . . . . 0.0 110.679 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 33.6 tp -62.6 -41.47 98.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.334 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.44 ' C ' ' SD ' ' A' ' 64' ' ' MET . 14.4 tmm? -62.66 -40.25 96.47 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.666 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -62.12 -40.94 97.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.577 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -63.16 -38.52 91.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.372 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mt -61.26 -43.63 98.56 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.586 -0.445 . . . . 0.0 110.457 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -66.13 -40.53 90.72 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.197 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.96 -43.35 88.2 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.301 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.79 -43.8 85.83 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.264 -0.574 . . . . 0.0 109.601 -178.068 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -61.49 -39.82 92.34 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.685 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.1 tptt -65.53 -38.74 90.53 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.857 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -58.66 -47.8 83.23 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.563 -179.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 54.7 mt -67.1 -30.18 70.14 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.409 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.98 -84.49 0.69 Allowed Glycine 0 CA--C 1.518 0.219 0 N-CA-C 111.63 -0.588 . . . . 0.0 111.63 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -117.65 97.61 5.95 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.907 0.385 . . . . 0.0 111.443 -179.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -129.26 117.97 21.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.987 -0.552 . . . . 0.0 109.902 179.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.459 ' H ' ' CD ' ' A' ' 78' ' ' GLU . 40.6 mp0 -62.46 -45.49 92.82 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.651 -178.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.6 -24.8 50.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.386 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 39.4 mm -98.98 -48.24 12.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.658 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 34.5 p -62.05 -31.64 72.07 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.858 -179.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -125.76 117.33 23.2 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.24 0.543 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -64.56 -24.97 67.78 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.395 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 58.3 mt -53.15 -58.63 2.63 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-O 121.095 0.474 . . . . 0.0 110.707 -179.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.7 p -73.32 -32.05 36.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.23 179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.593 ' O ' ' ND1' ' A' ' 89' ' ' HIS . . . -61.07 -38.1 94.99 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.344 -1.103 . . . . 0.0 110.344 -179.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 20.8 t -72.66 -49.27 32.8 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.026 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.14 -49.28 64.02 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.629 -179.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.593 ' ND1' ' O ' ' A' ' 86' ' ' GLY . 0.1 OUTLIER -59.88 -45.77 91.45 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.163 0.506 . . . . 0.0 110.019 179.602 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.515 ' N ' ' CG ' ' A' ' 89' ' ' HIS . 0.7 OUTLIER -58.81 -43.38 90.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.25 -178.77 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.47 -44.13 95.35 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.263 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -64.47 -43.22 94.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -62.15 -47.68 83.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.65 -41.77 83.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.0 tp -61.66 -44.05 97.7 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.459 -179.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -64.89 -39.59 93.76 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.769 -179.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 36.0 ttm -64.79 -47.51 77.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.693 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -58.06 -47.54 82.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.511 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.453 ' O ' ' ND2' ' A' ' 103' ' ' ASN . 3.6 mm? -61.36 -40.09 93.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.837 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.421 ' CE2' ' OE2' ' A' ' 104' ' ' GLU . 37.8 t80 -53.65 -49.04 68.79 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 120.326 -0.55 . . . . 0.0 110.048 -179.223 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.54 -41.75 75.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.155 0.502 . . . . 0.0 110.865 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -63.84 -36.46 83.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.484 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 99' ' ' LEU . 88.3 m-20 -65.41 -43.58 90.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.561 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.421 ' OE2' ' CE2' ' A' ' 100' ' ' TYR . 39.5 mt-10 -66.79 -38.37 86.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.598 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -60.07 -48.7 80.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.143 0.497 . . . . 0.0 110.769 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.402 ' C ' ' H ' ' A' ' 108' ' ' GLY . 6.0 tpt180 -61.58 -41.63 97.69 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.35 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.33 -4.94 2.95 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.368 -179.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.402 ' H ' ' C ' ' A' ' 106' ' ' ARG . . . 77.5 32.93 45.08 Favored Glycine 0 C--N 1.331 0.257 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 -111.22 107.9 17.36 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.739 0.304 . . . . 0.0 110.786 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.508 ' O ' ' CG ' ' A' ' 111' ' ' HIS . 30.3 m-85 -102.98 134.93 45.59 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.528 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.508 ' CG ' ' O ' ' A' ' 110' ' ' PHE . 32.3 m-70 -163.56 151.05 12.69 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 121.199 0.523 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 54.6 pttt -58.19 -26.9 63.35 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.119 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -64.08 -41.63 97.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.619 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 5.1 ptm -63.01 -37.63 87.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.999 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 88.7 mt -61.61 -45.01 99.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.93 -178.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -62.13 -40.28 95.39 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.762 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 52.1 m -60.46 -45.28 94.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -61.13 -48.46 81.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.99 0.424 . . . . 0.0 110.368 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -61.56 -51.59 67.95 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 120.243 -0.583 . . . . 0.0 109.934 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 14.1 m -58.36 -39.89 80.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.08 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -57.28 -38.69 74.31 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.276 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 10.4 p -63.61 -41.75 98.28 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.564 0.697 . . . . 0.0 110.178 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 34.5 mt -61.18 -40.11 92.66 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.221 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 94.3 mt -63.13 -41.99 99.41 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.63 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 73.3 mt -57.78 -43.04 83.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 C-N-CA 120.211 -0.595 . . . . 0.0 110.195 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.483 ' O ' ' OG1' ' A' ' 129' ' ' THR . 79.8 m-20 -60.78 -39.81 90.22 Favored 'General case' 0 C--O 1.243 0.727 0 CA-C-O 121.725 0.774 . . . . 0.0 109.486 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 53.4 t -58.74 -32.66 47.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.372 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 60.6 mt -73.95 -43.23 52.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.147 0.498 . . . . 0.0 110.753 178.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.483 ' OG1' ' O ' ' A' ' 126' ' ' ASP . 77.6 p -51.74 -36.93 49.03 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.592 -177.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 3.6 m -41.58 -32.21 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.924 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -65.24 -40.14 93.64 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.532 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 129' ' ' THR . . . 96.79 -46.73 1.73 Allowed Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 23.6 mp0 -79.19 63.02 3.72 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 120.748 0.309 . . . . 0.0 111.163 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -112.44 145.83 39.47 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 121.676 0.75 . . . . 0.0 110.297 179.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 2.8 t -75.33 147.73 39.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.132 178.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . 0.524 ' O ' HG22 ' A' ' 139' ' ' VAL . 31.9 t70 -59.73 -38.85 82.83 Favored 'General case' 0 C--O 1.216 -0.681 0 CA-C-O 121.667 0.746 . . . . 0.0 110.35 179.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 136' ' ' ASP . 44.7 mm-40 -45.34 -33.56 2.55 Favored 'General case' 0 C--N 1.307 -1.255 0 O-C-N 120.997 -1.064 . . . . 0.0 111.257 179.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -67.63 -52.65 35.77 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 120.996 0.427 . . . . 0.0 111.76 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . 0.524 HG22 ' O ' ' A' ' 136' ' ' ASP . 2.1 m -60.53 -32.37 51.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.413 0.625 . . . . 0.0 110.28 -179.263 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -63.91 -48.78 75.24 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.241 0.543 . . . . 0.0 110.3 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -60.16 -32.88 71.46 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.053 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -43.91 97.25 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.054 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -60.01 -41.19 91.62 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' TYR . . . . . 0.458 ' HH ' ' C ' ' B' ' 154' ' ' GLY . 15.9 m-85 -69.94 -41.45 74.54 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.304 178.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -58.92 -39.98 83.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.913 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -65.74 -46.4 79.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.641 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 11.8 t90 -62.74 -47.26 84.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.419 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt -63.21 -36.89 85.15 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.764 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -58.37 -49.98 75.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.945 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 48.9 p -72.52 -39.17 67.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.583 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -58.75 -46.09 88.24 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.443 -179.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 91.6 mt -67.46 -42.98 87.73 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 CA-C-O 121.405 0.621 . . . . 0.0 110.955 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -62.18 -51.21 68.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.022 -178.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -64.21 -27.91 69.39 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.721 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 3.2 m -62.18 -56.44 18.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.836 0.35 . . . . 0.0 111.599 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.455 ' HG ' ' N ' ' A' ' 157' ' ' LYS . 1.7 pp -67.45 -34.14 76.58 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 120.441 -0.504 . . . . 0.0 111.663 -179.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.455 ' N ' ' HG ' ' A' ' 156' ' ' LEU . 48.7 mtmt -65.38 -39.82 92.73 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.119 -179.464 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -72.84 -10.18 59.51 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.518 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 84.89 36.41 11.47 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 110.534 -1.027 . . . . 0.0 110.534 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -138.64 122.38 17.57 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 120.958 0.409 . . . . 0.0 110.574 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 5.1 t -55.01 137.61 66.04 Favored Pre-proline 0 CA--C 1.541 0.597 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.985 -178.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -75.2 150.8 37.84 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 122.496 2.131 . . . . 0.0 111.71 179.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.311 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 154' ' ' GLY . . . . . 0.458 ' C ' ' HH ' ' A' ' 144' ' ' TYR . . . . . . . . 0 CA--C 1.51 -0.22 0 N-CA-C 110.681 -0.968 . . . . 0.0 110.681 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -141.17 151.55 62.14 Favored Pre-proline 0 CA--C 1.535 0.4 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.147 179.372 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_exo -54.24 -168.35 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.587 0 C-N-CA 122.321 2.014 . . . . 0.0 111.784 178.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 157' ' ' GLU . . . . . 0.442 ' N ' ' CD ' ' B' ' 157' ' ' GLU . 3.2 mp0 -100.82 118.67 37.36 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.334 179.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 4.1 mp -133.6 144.76 49.48 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.817 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -83.46 132.54 34.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.732 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 160' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -60.28 -42.52 95.61 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.279 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 161' ' ' ASP . . . . . 0.427 ' O ' ' HG3' ' B' ' 164' ' ' GLU . 5.5 t70 -64.74 -54.14 36.12 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.416 0.627 . . . . 0.0 110.675 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 162' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -60.27 -32.3 71.04 Favored 'General case' 0 C--N 1.315 -0.93 0 O-C-N 121.507 -0.745 . . . . 0.0 110.146 -179.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 41.2 tp -60.96 -43.06 99.29 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.535 -178.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 164' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' B' ' 161' ' ' ASP . 0.0 OUTLIER -67.56 -31.72 71.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.619 179.735 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 165' ' ' ALA . . . . . 0.4 ' N ' ' HG3' ' B' ' 164' ' ' GLU . . . -60.88 -50.45 73.38 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.424 -178.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -40.38 85.85 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.946 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.26 -53.83 52.97 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 119.547 -0.861 . . . . 0.0 110.423 -177.363 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 168' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -53.23 -44.69 68.27 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -55.99 -49.47 73.54 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.929 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 5.8 tp -55.05 -47.22 75.08 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.267 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -55.43 -45.29 84.27 Favored Glycine 0 CA--C 1.525 0.67 0 C-N-CA 120.491 -0.861 . . . . 0.0 110.982 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 172' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -59.36 -44.15 92.73 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.514 0.673 . . . . 0.0 110.218 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -58.92 -55.55 33.75 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.459 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 8.7 mp -58.84 -35.76 73.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.346 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 24.8 tp -55.07 -43.05 73.54 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 120.288 -0.565 . . . . 0.0 109.703 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.575 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.37 -178.729 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 182' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 120.584 0.231 . . . . 0.0 110.57 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 183' ' ' LEU . . . . . . . . . . . . . 14.2 mt -58.71 -41.6 86.72 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.589 -0.445 . . . . 0.0 110.234 -178.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 184' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -64.58 -32.7 74.46 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -61.21 -60.31 3.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.525 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 186' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.428 -178.914 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.486 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 3.7 mm? . . . . . 0 CA--C 1.516 -0.364 0 CA-C-O 121.198 0.523 . . . . 0.0 110.641 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.25 166.87 34.52 Favored Pre-proline 0 N--CA 1.447 -0.61 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.108 -178.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -62.31 153.09 72.66 Favored 'Trans proline' 0 N--CA 1.495 1.588 0 C-N-CA 122.852 2.368 . . . . 0.0 112.075 179.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.7 mt -99.38 148.12 34.24 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.405 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -54.55 173.86 0.22 Allowed 'Trans proline' 0 N--CA 1.495 1.583 0 C-N-CA 122.705 2.27 . . . . 0.0 111.982 178.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -47.24 162.1 0.21 Allowed 'Trans proline' 0 C--N 1.313 -1.295 0 C-N-CA 122.725 2.284 . . . . 0.0 111.488 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -107.31 100.66 34.63 Favored Pre-proline 0 CA--C 1.542 0.638 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.449 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -53.79 145.32 50.63 Favored 'Trans proline' 0 N--CA 1.495 1.61 0 C-N-CA 122.595 2.197 . . . . 0.0 111.958 178.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.92 -30.17 68.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.011 0.434 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.439 ' OE1' ' N ' ' A' ' 13' ' ' GLN . 4.3 mp0 -58.08 -38.47 76.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.882 0.372 . . . . 0.0 110.7 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -95.72 33.6 1.63 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.048 0.452 . . . . 0.0 110.911 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -80.98 -30.8 34.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.562 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.0 t -69.85 -12.66 61.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.661 0.267 . . . . 0.0 111.095 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.6 pt -112.39 3.4 8.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-O 121.007 0.432 . . . . 0.0 110.479 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -56.96 -37.07 71.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.942 -179.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -58.99 -38.71 79.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.558 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 55.1 m80 -65.81 -42.45 90.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.779 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 50.0 mt -62.83 -45.7 91.38 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.066 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.1 mmm-85 -64.0 -41.13 97.59 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.182 0.515 . . . . 0.0 110.202 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 34.2 m -60.97 -44.26 97.58 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.981 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.11 -38.85 89.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.534 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -54.44 -41.11 69.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.266 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -78.5 -51.25 10.24 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.367 0.603 . . . . 0.0 110.663 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.507 ' O ' ' N ' ' A' ' 31' ' ' ASP . 45.8 m80 -57.86 -23.94 55.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.864 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.74 -46.48 64.06 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.38 -179.665 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -79.79 -46.75 16.38 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.752 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -65.67 -59.22 4.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.06 -179.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 27' ' ' HIS . 1.2 m-20 -137.74 112.9 9.12 Favored Pre-proline 0 CA--C 1.538 0.51 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.111 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -71.08 -29.12 18.17 Favored 'Trans proline' 0 N--CA 1.492 1.386 0 C-N-CA 122.236 1.957 . . . . 0.0 112.168 -179.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 97.4 t -61.4 -47.25 94.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.616 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 95.2 t -67.43 -45.99 84.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.265 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.09 -40.85 95.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.745 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.527 ' N ' HH21 ' A' ' 39' ' ' ARG . 90.4 t80 -60.48 -50.97 71.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.026 0.441 . . . . 0.0 110.447 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -64.92 -40.9 95.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.347 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 44.5 t -55.34 -45.32 76.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.955 0.407 . . . . 0.0 110.299 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.527 HH21 ' N ' ' A' ' 36' ' ' TYR . 68.9 mtm180 -61.23 -41.11 96.31 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.034 179.515 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.1 tp -55.52 -45.41 77.12 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.473 ' C ' ' CD1' ' A' ' 41' ' ' TYR . 15.0 t80 -57.73 -46.48 84.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.267 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.76 -48.53 79.39 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 123.772 0.67 . . . . 0.0 111.035 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 48.0 ttp -60.95 -41.3 96.03 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 120.829 0.347 . . . . 0.0 110.875 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -59.12 -48.86 80.07 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.08 0.467 . . . . 0.0 111.472 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.8 t -73.4 -36.57 66.05 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.651 -0.419 . . . . 0.0 110.95 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -57.93 -54.87 33.99 Favored Glycine 0 CA--C 1.528 0.86 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.553 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -61.62 -37.72 85.01 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.31 -44.94 88.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.007 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.503 ' O ' ' O ' ' A' ' 50' ' ' ASP . 48.2 mt -84.03 -85.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.197 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.503 ' O ' ' O ' ' A' ' 49' ' ' ILE . 15.4 t70 55.17 135.78 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.206 0 O-C-N 123.772 0.67 . . . . 0.0 111.024 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.516 ' HG ' ' CG2' ' A' ' 53' ' ' THR . 0.3 OUTLIER -100.21 9.32 42.94 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 120.814 0.34 . . . . 0.0 110.258 -179.74 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.3 mttt 56.11 67.67 0.97 Allowed 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.432 -179.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.516 ' CG2' ' HG ' ' A' ' 51' ' ' SER . 1.2 t -145.77 151.21 45.45 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.054 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -57.06 -35.49 98.94 Favored 'Trans proline' 0 N--CA 1.495 1.575 0 C-N-CA 122.431 2.088 . . . . 0.0 112.612 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -65.74 -52.77 48.46 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.35 0.595 . . . . 0.0 110.724 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.473 ' H ' HG22 ' A' ' 53' ' ' THR . 75.2 m -66.92 -40.03 87.52 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.388 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -57.36 -43.34 83.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.05 0.452 . . . . 0.0 110.526 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.7 tptt -62.99 -40.59 98.22 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.39 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -59.13 -44.38 92.02 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.227 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.12 -42.41 98.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.367 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.4 t -58.67 -46.27 87.57 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.704 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.8 mmtm -66.87 -40.86 87.96 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.292 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 33.0 tp -61.8 -47.04 86.92 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.897 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 49.3 ttm -67.34 -35.48 79.47 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.156 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -60.4 -42.77 96.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.93 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -65.46 -45.1 85.07 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.905 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.2 mt -54.01 -48.43 70.46 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.981 -178.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -63.37 -48.75 76.61 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.361 -0.536 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.56 -40.81 88.52 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.483 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.72 -44.93 96.01 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.742 -179.007 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -61.51 -42.18 98.41 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.112 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.71 -39.19 90.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.453 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -58.29 -46.83 85.37 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.45 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.4 mt -72.07 -30.02 64.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.584 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 92.37 -81.54 1.16 Allowed Glycine 0 N--CA 1.458 0.137 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.482 ' O ' ' O ' ' A' ' 77' ' ' ASN . 0.2 OUTLIER -127.36 -59.16 1.24 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.596 0.236 . . . . 0.0 111.017 -179.471 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.482 ' O ' ' O ' ' A' ' 76' ' ' ASP . 47.3 t-20 46.27 105.63 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.802 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.554 ' CD ' ' H ' ' A' ' 78' ' ' GLU . 3.2 mp0 -42.17 -41.35 2.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.977 0.418 . . . . 0.0 110.709 -179.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.67 -36.49 74.26 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 77' ' ' ASN . 44.2 mm -88.42 -48.68 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.583 179.665 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.0 -54.55 10.83 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.942 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 78' ' ' GLU . 66.6 mt-30 -90.73 98.55 11.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.145 0.498 . . . . 0.0 110.356 -179.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.527 ' CD ' ' H ' ' A' ' 83' ' ' GLU . 2.0 pm0 -61.34 -21.26 63.85 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.088 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 7.4 mm -58.88 -52.44 60.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.966 0.412 . . . . 0.0 110.937 -178.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.5 m -72.54 -33.2 44.32 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -60.11 -40.33 97.01 Favored Glycine 0 C--N 1.335 0.511 0 N-CA-C 110.141 -1.184 . . . . 0.0 110.141 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.598 ' SG ' ' CZ ' ' A' ' 131' ' ' PHE . 89.5 m -65.69 -48.69 71.21 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 178.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.78 -36.55 74.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.368 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -64.23 -45.4 88.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.383 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.7 mt -62.01 -41.39 98.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.512 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -63.64 -46.19 86.76 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.211 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 -64.59 -45.27 87.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.497 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -62.82 -49.59 74.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.373 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.87 -41.07 97.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.147 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.9 tt -64.43 -41.25 96.69 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.722 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.542 ' NZ ' ' O ' ' B' ' 186' ' ' ALA . 25.3 ttpp -60.02 -44.81 94.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.591 -179.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 47.7 ttm -67.39 -43.88 80.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.595 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -60.41 -50.82 72.06 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -59.77 -41.82 91.9 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 120.831 0.348 . . . . 0.0 110.695 -179.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.553 ' O ' ' ND2' ' A' ' 103' ' ' ASN . 30.0 t80 -57.25 -50.41 72.98 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-O 121.211 0.529 . . . . 0.0 110.391 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.1 -39.13 79.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.108 0.48 . . . . 0.0 111.129 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.27 -42.66 99.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.314 -179.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.553 ' ND2' ' O ' ' A' ' 100' ' ' TYR . 0.4 OUTLIER -61.96 -45.84 91.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.262 0.553 . . . . 0.0 110.119 -179.874 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.412 ' N ' ' CG ' ' A' ' 103' ' ' ASN . 92.8 mt-10 -61.56 -34.16 75.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.759 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.572 ' OD2' ' NZ ' ' A' ' 148' ' ' LYS . 32.1 t0 -62.22 -56.42 18.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.18 -29.87 70.23 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.91 0.386 . . . . 0.0 110.708 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.89 -12.04 33.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.308 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 83.04 23.07 56.33 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.129 -0.789 . . . . 0.0 111.129 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -117.78 101.29 8.2 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 120.926 0.393 . . . . 0.0 110.108 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.585 ' N ' ' CD1' ' A' ' 110' ' ' PHE . 0.7 OUTLIER -110.42 142.45 42.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.614 -179.668 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.524 ' CD2' ' O ' ' A' ' 110' ' ' PHE . 32.1 m80 -159.24 168.08 27.38 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.437 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -57.37 -37.05 72.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.283 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -64.99 -39.92 94.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.428 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 4.4 tmm? -56.8 -48.92 76.85 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.242 0.544 . . . . 0.0 109.906 -179.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 65.2 mt -61.38 -38.33 79.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.863 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -62.0 -37.74 85.98 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.608 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 23.1 t -61.86 -44.83 96.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.883 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -61.93 -45.39 93.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.895 0.379 . . . . 0.0 110.729 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.401 ' O ' ' OG ' ' A' ' 122' ' ' SER . 51.1 t80 -60.21 -48.51 81.44 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.36 0.6 . . . . 0.0 109.966 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 96.6 m -59.52 -42.35 92.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.035 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -53.94 -41.04 67.31 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 119' ' ' TYR . 35.1 p -61.8 -40.51 95.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.303 0.573 . . . . 0.0 110.378 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 82.6 mt -62.23 -41.22 98.21 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.552 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.54 -39.33 94.13 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.293 0.568 . . . . 0.0 110.494 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 90.3 mt -60.12 -42.81 91.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 C-N-CA 120.227 -0.589 . . . . 0.0 109.613 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.578 ' O ' ' OG1' ' A' ' 129' ' ' THR . 0.8 OUTLIER -61.37 -39.86 92.18 Favored 'General case' 0 C--O 1.243 0.758 0 CA-C-O 122.077 0.941 . . . . 0.0 109.039 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.435 ' O ' ' CG2' ' A' ' 130' ' ' VAL . 57.0 t -57.55 -34.99 48.43 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.548 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 179.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 80.9 mt -71.56 -44.31 70.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.409 0.624 . . . . 0.0 110.783 178.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.578 ' OG1' ' O ' ' A' ' 126' ' ' ASP . 37.3 p -49.29 -36.2 20.15 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.047 0.451 . . . . 0.0 110.505 -178.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.438 ' C ' ' H ' ' A' ' 132' ' ' GLY . 3.0 m -46.61 -15.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 C-N-CA 120.135 -0.626 . . . . 0.0 110.906 179.174 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.598 ' CZ ' ' SG ' ' A' ' 87' ' ' CYS . 25.2 m-85 -78.71 22.41 0.36 Allowed 'General case' 0 CA--C 1.513 -0.462 0 CA-C-O 120.805 0.335 . . . . 0.0 110.112 -178.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.438 ' H ' ' C ' ' A' ' 130' ' ' VAL . . . 87.35 -82.13 1.62 Allowed Glycine 0 CA--C 1.521 0.428 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.568 178.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -131.61 160.88 34.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.17 0.509 . . . . 0.0 110.503 -179.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.431 ' H ' HD13 ' A' ' 134' ' ' LEU . 0.3 OUTLIER -144.62 179.88 7.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.661 -179.563 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 7.2 t -83.0 153.23 25.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.35 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -58.57 -27.45 64.62 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.988 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -55.97 -47.04 78.4 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.308 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 47.2 m-20 -61.83 -60.78 3.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.075 0.464 . . . . 0.0 111.73 -178.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 23.1 m -51.52 -35.95 17.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.662 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -60.75 -46.99 88.3 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.602 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -61.9 -35.58 78.8 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.81 -44.75 93.84 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.356 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 16.8 ttmt -61.14 -43.94 98.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.323 -178.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -71.55 -36.12 70.85 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.287 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -60.87 -48.47 81.67 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.784 -179.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . 0.453 ' HG3' ' N ' ' A' ' 147' ' ' TRP . 9.8 ptp180 -71.05 -40.5 71.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.257 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' TRP . . . . . 0.453 ' N ' ' HG3' ' A' ' 146' ' ' ARG . 25.2 t90 -58.2 -52.32 66.06 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 120.947 0.403 . . . . 0.0 110.67 -178.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . 0.572 ' NZ ' ' OD2' ' A' ' 105' ' ' ASP . 26.8 tttm -62.02 -36.77 82.55 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.39 -179.392 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -52.69 -50.3 63.57 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.137 0.494 . . . . 0.0 110.254 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' THR . . . . . 0.67 ' HG1' ' N ' ' A' ' 151' ' ' TYR . 22.2 p -70.81 -42.6 70.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.342 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' TYR . . . . . 0.67 ' N ' ' HG1' ' A' ' 150' ' ' THR . 80.4 t80 -51.02 -50.17 59.06 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.503 -179.063 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.64 -42.69 95.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.194 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' HIS . . . . . 0.406 ' NE2' ' OE1' ' B' ' 173' ' ' GLU . 3.4 t-80 -64.63 -38.06 89.71 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.606 -179.621 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -61.93 -42.32 98.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.375 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 91.5 m -66.49 -34.38 77.79 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.669 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.0 tt -58.22 -50.26 74.17 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-O 121.258 0.552 . . . . 0.0 110.021 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -63.61 -39.7 95.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.143 0.497 . . . . 0.0 110.669 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -69.74 -21.73 63.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.903 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 78.68 52.11 5.21 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -130.45 135.42 47.97 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 121.102 0.477 . . . . 0.0 111.069 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 6.6 m -56.1 129.33 73.16 Favored Pre-proline 0 CA--C 1.538 0.514 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.142 -178.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -63.9 142.36 81.7 Favored 'Trans proline' 0 N--CA 1.496 1.672 0 C-N-CA 122.301 2.0 . . . . 0.0 112.179 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 . . . . . 0 N--CA 1.462 0.155 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.33 179.866 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.23 0 N-CA-C 110.284 -1.126 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 1.2 p -123.94 151.62 65.21 Favored Pre-proline 0 CA--C 1.535 0.37 0 CA-C-O 120.623 0.249 . . . . 0.0 110.552 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.22 -171.77 0.65 Allowed 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 122.877 2.384 . . . . 0.0 111.815 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 157' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -82.23 100.0 9.62 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.041 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 12.5 mt -110.97 130.81 55.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.884 0.373 . . . . 0.0 110.691 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -68.23 135.16 51.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.16 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 160' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -66.23 -33.19 75.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 161' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.92 -49.47 70.28 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.108 0.48 . . . . 0.0 110.545 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 162' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -63.4 -41.08 98.73 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.611 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 12.8 mt -56.58 -48.09 78.13 Favored 'General case' 0 C--O 1.232 0.149 0 O-C-N 123.354 0.409 . . . . 0.0 111.247 -178.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -63.64 -35.31 80.12 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.317 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 165' ' ' ALA . . . . . . . . . . . . . . . -60.3 -46.92 88.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.116 0.484 . . . . 0.0 111.621 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.88 -45.36 71.2 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.538 -179.106 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.89 -58.28 9.34 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.115 0.483 . . . . 0.0 110.617 -178.161 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 168' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -52.14 -46.23 65.32 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.043 -178.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -58.54 -47.28 84.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.526 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 53.8 tp -58.98 -44.3 91.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.161 -179.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -54.54 -44.21 78.22 Favored Glycine 0 CA--C 1.525 0.672 0 C-N-CA 120.498 -0.858 . . . . 0.0 111.075 -179.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 172' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -61.67 -42.7 99.28 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.195 0.521 . . . . 0.0 110.471 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 173' ' ' GLU . . . . . 0.406 ' OE1' ' NE2' ' A' ' 153' ' ' HIS . 43.6 tt0 -67.4 -38.35 84.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.125 0.488 . . . . 0.0 110.814 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 3.9 mp -63.84 -41.3 97.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.677 -179.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 175' ' ' LEU . . . . . 0.413 ' CD1' ' C ' ' B' ' 175' ' ' LEU . 1.2 pp -87.62 -11.1 49.53 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.973 -179.278 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.248 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.462 -179.696 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 182' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 . . . . . 0 CA--C 1.521 -0.136 0 CA-C-O 120.599 0.238 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 183' ' ' LEU . . . . . . . . . . . . . 45.7 tp -60.29 -46.38 90.07 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 120.219 -0.593 . . . . 0.0 110.054 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 184' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -67.53 -28.17 67.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.086 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.02 -55.81 7.5 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.688 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 186' ' ' ALA . . . . . 0.542 ' O ' ' NZ ' ' A' ' 96' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.46 0 CA-C-O 120.844 0.354 . . . . 0.0 110.995 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 78.4 mt . . . . . 0 N--CA 1.463 0.207 0 CA-C-O 121.036 0.446 . . . . 0.0 110.505 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.83 156.04 74.61 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.537 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.2 143.99 45.4 Favored 'Trans proline' 0 N--CA 1.493 1.472 0 C-N-CA 122.734 2.289 . . . . 0.0 111.404 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.7 mt -93.37 146.79 32.51 Favored Pre-proline 0 C--N 1.329 -0.322 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.625 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -69.76 164.86 32.96 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 122.359 2.039 . . . . 0.0 112.372 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -52.41 128.32 27.3 Favored 'Trans proline' 0 N--CA 1.492 1.4 0 C-N-CA 122.691 2.261 . . . . 0.0 110.691 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 pp -90.09 131.55 38.67 Favored Pre-proline 0 CA--C 1.538 0.488 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.14 -179.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -47.58 153.35 2.19 Favored 'Trans proline' 0 N--CA 1.501 1.966 0 C-N-CA 122.362 2.041 . . . . 0.0 112.525 178.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.82 -23.06 28.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.669 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -62.23 -28.56 69.78 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.835 0.35 . . . . 0.0 110.651 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 20.5 m-30 -100.25 15.62 26.99 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.265 0.555 . . . . 0.0 110.869 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.9 pttm -58.29 -26.78 63.39 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.58 178.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.8 t -68.67 -48.49 63.83 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.447 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.1 pt -76.61 -11.54 13.88 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.243 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.282 -179.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -50.89 -44.98 59.95 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.358 -179.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.422 ' CD2' ' N ' ' A' ' 19' ' ' HIS . 8.0 m170 -65.01 -40.84 95.49 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.771 -0.371 . . . . 0.0 110.175 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.546 ' NE2' ' CG2' ' A' ' 127' ' ' VAL . 2.0 t-80 -62.55 -42.32 99.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.336 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 88.4 mt -63.39 -41.39 98.76 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.59 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.2 tpt85 -61.8 -43.86 98.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.008 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.6 m -60.96 -43.77 98.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.518 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 28' ' ' ASP . . . -55.27 -49.33 72.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.688 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -56.44 -42.85 78.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.503 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.487 ' N ' ' OE1' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -66.12 -35.64 81.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.429 179.758 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.428 ' O ' ' N ' ' A' ' 31' ' ' ASP . 7.5 m80 -85.37 -18.61 33.24 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.568 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 24' ' ' ALA . 48.7 t0 -60.61 -43.15 97.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.836 0.35 . . . . 0.0 110.494 -179.478 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.1 ptpp? -68.37 -27.29 66.11 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.563 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -90.66 -64.79 1.08 Allowed 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.11 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 27' ' ' HIS . 41.5 m-20 -125.18 115.24 25.91 Favored Pre-proline 0 CA--C 1.538 0.503 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.139 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -72.48 -29.65 13.26 Favored 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 121.937 1.758 . . . . 0.0 111.997 -179.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 50.9 t -62.32 -46.25 96.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.004 -179.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.497 ' O ' ' SG ' ' A' ' 38' ' ' CYS . 87.0 t -64.82 -47.06 90.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.261 179.349 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.1 -38.78 90.19 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.828 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -56.54 -49.33 75.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.895 0.379 . . . . 0.0 110.165 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -64.38 -38.93 92.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.337 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.497 ' SG ' ' O ' ' A' ' 34' ' ' VAL . 66.5 m -58.24 -47.3 83.99 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.877 -179.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -59.93 -44.35 94.38 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -179.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.2 tt -60.68 -46.35 90.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.701 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.431 ' CD1' ' C ' ' A' ' 41' ' ' TYR . 2.9 t80 -52.97 -43.51 66.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.979 0.419 . . . . 0.0 110.148 178.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.5 -48.97 78.64 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.644 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.1 ttp -50.16 -63.54 1.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.834 0.35 . . . . 0.0 110.863 -178.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -54.0 -35.46 61.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.607 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 96.3 m -72.05 -40.01 68.66 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.324 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -62.79 -51.8 53.1 Favored Glycine 0 CA--C 1.527 0.784 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.858 -178.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.614 ' SD ' ' N ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -61.26 -37.95 84.95 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.855 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.614 ' N ' ' SD ' ' A' ' 47' ' ' MET . 23.7 tttp -61.62 -43.3 99.11 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.5 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.466 ' O ' ' O ' ' A' ' 50' ' ' ASP . 67.1 mt -75.89 -53.94 14.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.506 -179.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.466 ' O ' ' O ' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -48.16 -176.78 0.0 OUTLIER 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.367 0.603 . . . . 0.0 110.51 -178.576 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.4 m -162.46 58.29 0.22 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.705 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 91.4 mttt 63.34 101.23 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.342 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.448 ' CG2' ' SG ' ' A' ' 56' ' ' CYS . 3.7 t -165.52 146.61 5.99 Favored Pre-proline 0 C--N 1.327 -0.386 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.684 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -59.66 -39.77 70.99 Favored 'Trans proline' 0 N--CA 1.5 1.876 0 C-N-CA 122.291 1.994 . . . . 0.0 112.844 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.99 -58.5 8.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.972 0.415 . . . . 0.0 110.867 -179.418 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.448 ' SG ' ' CG2' ' A' ' 53' ' ' THR . 58.3 m -63.89 -39.75 94.92 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.704 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.0 ttm-85 -56.85 -45.86 82.15 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.697 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 44.5 tttp -65.43 -43.5 90.27 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.545 179.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -60.03 -46.62 88.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.784 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.13 -41.27 97.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.576 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 71.1 m -54.89 -47.21 74.59 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.544 -178.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -68.08 -41.97 81.09 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.689 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 41.7 tp -61.8 -43.8 98.13 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.519 -0.472 . . . . 0.0 110.411 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.438 ' SD ' ' OE2' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -64.71 -41.67 95.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.529 -179.636 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -62.61 -39.96 95.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.696 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -64.19 -39.25 93.59 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.508 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.5 mt -61.17 -42.29 98.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.936 0.398 . . . . 0.0 110.352 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.438 ' OE2' ' SD ' ' A' ' 64' ' ' MET . 96.7 mt-10 -63.75 -48.23 77.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.707 -179.511 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.78 -44.06 94.1 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.366 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.79 -41.85 98.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.235 0.541 . . . . 0.0 109.617 -179.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.9 tttt -55.85 -41.2 73.95 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -63.91 -44.44 92.95 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 120.728 0.299 . . . . 0.0 111.627 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -49.89 -55.15 15.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.952 0.406 . . . . 0.0 110.575 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.561 ' O ' ' N ' ' A' ' 76' ' ' ASP . 15.4 mt -66.76 -31.86 72.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.644 -179.432 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 46.57 -83.96 0.01 OUTLIER Glycine 0 CA--C 1.528 0.889 0 CA-C-N 116.11 -0.496 . . . . 0.0 112.054 178.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.561 ' N ' ' O ' ' A' ' 74' ' ' LEU . 69.3 m-20 -87.49 83.41 7.28 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.8 0.334 . . . . 0.0 111.138 -178.419 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -143.58 119.36 10.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.803 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -72.38 -30.06 64.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.628 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.2 -37.17 84.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.329 -179.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.6 mp -87.47 -50.45 13.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.947 0.403 . . . . 0.0 110.405 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 75.9 p -63.55 -33.57 75.9 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.476 -178.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -121.36 112.73 18.94 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -65.25 -24.32 67.29 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.549 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.5 mt -49.8 -60.85 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.364 -178.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -72.75 -33.51 44.37 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.913 178.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.79 -44.77 96.71 Favored Glycine 0 CA--C 1.521 0.458 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 51.6 t -65.37 -45.84 82.52 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.409 ' O ' ' ND2' ' A' ' 92' ' ' ASN . . . -56.47 -37.94 71.0 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.363 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -45.71 93.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.554 179.373 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.54 -43.29 99.13 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.508 -177.28 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -58.87 -46.14 88.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.593 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.409 ' ND2' ' O ' ' A' ' 88' ' ' ALA . 76.9 m-20 -63.06 -45.55 91.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.727 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -65.05 -44.79 87.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.948 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.81 -42.41 98.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.685 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 69.0 mt -68.67 -38.8 80.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.742 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.52 ' NZ ' ' O ' ' B' ' 186' ' ' ALA . 11.9 tmtt? -61.82 -43.96 97.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.884 -179.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 11.0 tpp -65.53 -46.45 79.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.881 0.372 . . . . 0.0 110.609 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -57.47 -48.31 79.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.878 -178.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -59.19 -42.41 90.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.599 -179.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -55.25 -49.19 72.65 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.538 -0.465 . . . . 0.0 109.928 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.74 -44.48 70.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.888 0.375 . . . . 0.0 111.058 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -60.14 -40.46 89.88 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.193 -179.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -62.95 -43.95 97.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.475 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -65.77 -27.82 68.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.613 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.529 ' OD2' ' NZ ' ' A' ' 148' ' ' LYS . 18.1 t0 -69.06 -43.63 74.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.826 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -64.32 -38.46 91.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.978 0.418 . . . . 0.0 110.197 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.61 -9.18 8.06 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.283 -178.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 80.55 33.42 31.22 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.523 ' O ' ' SD ' ' A' ' 114' ' ' MET . 40.3 ttm180 -112.98 106.82 15.16 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.751 0.31 . . . . 0.0 110.549 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -108.69 134.14 51.82 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.093 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -157.37 163.44 38.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.386 0.612 . . . . 0.0 110.621 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -64.06 -36.29 83.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.211 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.638 ' ND2' ' CE1' ' B' ' 182' ' ' TYR . 86.6 m-20 -61.06 -41.41 96.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.26 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.523 ' SD ' ' O ' ' A' ' 109' ' ' ARG . 19.1 mtp -62.88 -40.33 97.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.163 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 90.2 mt -59.45 -42.54 88.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 C-N-CA 120.333 -0.547 . . . . 0.0 109.904 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -63.88 -35.67 81.41 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.614 179.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 34.9 m -60.78 -45.15 95.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.782 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -61.66 -44.85 96.18 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.029 0.443 . . . . 0.0 110.329 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.448 ' O ' ' OG ' ' A' ' 122' ' ' SER . 59.5 t80 -56.92 -46.84 81.72 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.334 0.588 . . . . 0.0 109.537 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 7.1 m -57.52 -43.41 84.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.176 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -55.45 -42.71 74.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.845 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.448 ' OG ' ' O ' ' A' ' 119' ' ' TYR . 83.1 p -60.42 -41.98 95.07 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 121.027 0.441 . . . . 0.0 110.682 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.5 mp -61.94 -42.34 98.99 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.696 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 9.0 mp -62.38 -40.55 96.82 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.6 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 83.2 mt -56.73 -43.85 80.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 C-N-CA 119.519 -0.872 . . . . 0.0 109.594 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.456 ' O ' ' OG1' ' A' ' 129' ' ' THR . 36.1 m-20 -59.05 -40.56 85.51 Favored 'General case' 0 C--O 1.248 0.979 0 CA-C-O 121.64 0.733 . . . . 0.0 110.144 179.659 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.546 ' CG2' ' NE2' ' A' ' 20' ' ' HIS . 88.4 t -58.1 -32.03 43.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.455 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 66.7 mt -72.85 -44.78 57.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.652 178.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.456 ' OG1' ' O ' ' A' ' 126' ' ' ASP . 81.5 p -49.31 -34.77 16.42 Favored 'General case' 0 CA--C 1.513 -0.476 0 C-N-CA 120.704 -0.399 . . . . 0.0 110.32 -178.067 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.454 ' CG2' ' O ' ' A' ' 127' ' ' VAL . 4.8 m -42.29 -35.43 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 C-N-CA 120.237 -0.585 . . . . 0.0 111.03 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -63.02 -41.68 99.61 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 121.014 0.435 . . . . 0.0 110.563 -179.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 102.07 -17.68 53.64 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -102.02 66.26 1.02 Allowed 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.892 0.377 . . . . 0.0 110.407 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 6.4 tp -94.45 123.44 37.87 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 8.8 t -80.21 166.0 21.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.256 0.55 . . . . 0.0 110.475 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -58.86 -41.35 86.81 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.163 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -43.8 -49.4 8.14 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 120.835 0.35 . . . . 0.0 110.451 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.32 -39.63 92.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.155 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 85.5 t -59.81 -46.47 93.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.151 0.5 . . . . 0.0 110.463 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -63.23 -44.98 93.71 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.314 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 35.7 m170 -61.69 -42.14 98.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.164 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -52.0 -52.43 50.67 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.132 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 36.1 mmtm -67.57 -35.83 79.77 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.407 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -70.89 -41.43 71.33 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -62.28 -47.74 83.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.981 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -67.04 -40.69 87.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.567 179.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 17.9 t90 -56.81 -51.11 70.22 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.106 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . 0.529 ' NZ ' ' OD2' ' A' ' 105' ' ' ASP . 6.0 mmtp -60.03 -42.52 94.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.454 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -58.09 -47.78 82.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.991 0.424 . . . . 0.0 110.287 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 76.3 p -72.99 -44.73 60.71 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.198 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -50.17 -52.11 38.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.723 0.297 . . . . 0.0 110.266 -178.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . 0.438 ' O ' ' SG ' ' A' ' 155' ' ' CYS . 85.5 mt -63.3 -43.24 98.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.147 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' HIS . . . . . 0.46 ' CE1' ' OE2' ' B' ' 173' ' ' GLU . 82.4 t60 -63.07 -44.06 96.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.983 -179.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -64.35 -42.12 96.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.764 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . 0.438 ' SG ' ' O ' ' A' ' 152' ' ' ILE . 6.6 p -66.25 -32.96 74.69 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.351 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 1.3 tp -61.37 -47.09 87.43 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.082 179.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -64.12 -39.13 93.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.42 -178.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -67.45 -20.3 65.48 Favored 'General case' 0 C--N 1.317 -0.826 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.211 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 82.33 51.55 4.34 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 110.619 -0.992 . . . . 0.0 110.619 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -135.96 128.35 30.28 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.018 0.437 . . . . 0.0 110.213 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' THR . . . . . 0.404 ' O ' ' CG2' ' A' ' 161' ' ' THR . 14.8 t -53.97 121.94 32.25 Favored Pre-proline 0 CA--C 1.538 0.519 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.427 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -49.01 138.31 27.55 Favored 'Trans proline' 0 N--CA 1.497 1.733 0 C-N-CA 121.916 1.744 . . . . 0.0 112.421 179.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 . . . . . 0 N--CA 1.463 0.217 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.108 179.558 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.462 0 N-CA-C 110.362 -1.095 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.06 131.35 22.22 Favored Pre-proline 0 CA--C 1.545 0.751 0 C-N-CA 121.011 -0.276 . . . . 0.0 110.683 -179.33 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -45.9 167.15 0.06 OUTLIER 'Trans proline' 0 N--CA 1.496 1.631 0 C-N-CA 122.084 1.856 . . . . 0.0 111.957 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 157' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -83.46 107.99 16.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.638 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 25.7 mt -113.2 125.08 53.94 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -71.42 131.22 43.04 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 160' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -57.23 -38.66 74.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 161' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -67.15 -49.9 63.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.889 0.376 . . . . 0.0 111.051 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 162' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -63.93 -38.15 90.01 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.451 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 2.1 tt -59.84 -44.23 94.18 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.948 0.404 . . . . 0.0 110.168 -178.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -65.4 -35.59 81.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.007 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 165' ' ' ALA . . . . . . . . . . . . . . . -59.67 -46.84 87.82 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.058 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.21 -37.97 72.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.834 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.77 -56.1 20.56 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.24 -178.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 168' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -55.26 -43.12 74.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.238 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -57.74 -47.32 82.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.37 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 2.8 tp -57.98 -43.68 86.68 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.114 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -55.54 -42.82 85.15 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.699 -0.96 . . . . 0.0 110.699 -179.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 172' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -59.07 -49.54 77.5 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.896 0.379 . . . . 0.0 110.933 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 173' ' ' GLU . . . . . 0.46 ' OE2' ' CE1' ' A' ' 153' ' ' HIS . 1.5 pt-20 -67.2 -43.65 81.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.867 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 3.4 tp -64.47 -39.47 93.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.329 -178.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 48.9 tp -60.27 -42.69 95.92 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.889 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.43 0 C-N-CA 120.53 -0.468 . . . . 0.0 111.588 -179.357 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 182' ' ' TYR . . . . . 0.638 ' CE1' ' ND2' ' A' ' 113' ' ' ASN . 15.6 m-85 . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.847 0.356 . . . . 0.0 110.186 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 183' ' ' LEU . . . . . . . . . . . . . 19.1 mt -61.96 -42.12 98.76 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.385 179.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 184' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -67.59 -35.96 79.96 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 121.017 0.437 . . . . 0.0 110.456 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -70.73 -43.28 69.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.864 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 186' ' ' ALA . . . . . 0.52 ' O ' ' NZ ' ' A' ' 96' ' ' LYS . . . . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.731 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.536 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 3.6 mm? . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.02 0.438 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.73 162.4 36.63 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.131 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.38 148.56 55.05 Favored 'Trans proline' 0 C--N 1.309 -1.55 0 C-N-CA 122.69 2.26 . . . . 0.0 111.915 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.9 mt -90.07 147.6 37.51 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.49 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -63.81 166.35 16.26 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.652 2.235 . . . . 0.0 112.196 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -41.22 135.8 2.59 Favored 'Trans proline' 0 C--N 1.312 -1.352 0 C-N-CA 122.473 2.115 . . . . 0.0 111.878 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.44 121.6 63.05 Favored Pre-proline 0 CA--C 1.54 0.56 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.762 -179.52 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -71.31 152.13 60.85 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.251 1.967 . . . . 0.0 111.938 178.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.73 -33.29 71.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.804 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -56.47 -34.86 67.29 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.637 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -93.85 29.6 2.04 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.141 0.496 . . . . 0.0 110.163 -178.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.6 ttmt -75.03 -32.01 61.47 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.664 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.0 m -54.91 -17.94 4.3 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.672 -178.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 44.9 pt -116.39 8.99 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.52 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.3 -52.94 63.48 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.234 -178.422 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.489 ' C ' ' HD1' ' A' ' 19' ' ' HIS . 6.8 t-80 -59.73 -37.81 79.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.05 0.452 . . . . 0.0 110.732 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -64.31 -39.21 93.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.599 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.463 ' CD2' HH12 ' A' ' 39' ' ' ARG . 71.7 mt -62.33 -44.32 96.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.214 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -61.69 -40.74 96.08 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.431 -179.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.3 m -60.51 -43.24 97.29 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.99 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.424 ' O ' ' OD2' ' A' ' 28' ' ' ASP . . . -65.6 -43.86 88.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.702 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -51.06 -41.37 59.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.291 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -79.45 -48.06 14.59 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.244 0.545 . . . . 0.0 110.945 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.434 ' O ' ' N ' ' A' ' 31' ' ' ASP . 0.3 OUTLIER -62.43 -20.55 64.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.615 -179.203 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.424 ' OD2' ' O ' ' A' ' 24' ' ' ALA . 6.7 m-20 -52.57 -41.83 63.95 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -88.41 -35.12 17.27 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.251 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.536 ' NH1' ' OD1' ' B' ' 184' ' ' ASP . 26.7 ttm-85 -70.57 -58.6 3.52 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.524 -0.471 . . . . 0.0 110.76 -178.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 27' ' ' HIS . 17.1 m-20 -135.01 114.88 11.9 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.72 -179.411 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -74.99 -30.02 7.62 Favored 'Trans proline' 0 N--CA 1.489 1.264 0 C-N-CA 122.286 1.991 . . . . 0.0 112.236 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 87.6 t -61.84 -49.89 82.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.55 -179.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.524 ' O ' ' SG ' ' A' ' 38' ' ' CYS . 64.3 t -68.33 -45.51 82.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.357 179.346 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.11 -39.52 82.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.799 -179.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -60.96 -50.14 74.6 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.065 0.46 . . . . 0.0 110.391 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -66.23 -34.94 79.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.375 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.524 ' SG ' ' O ' ' A' ' 34' ' ' VAL . 91.2 m -59.4 -45.21 92.12 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.095 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.463 HH12 ' CD2' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -61.4 -44.17 97.6 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.818 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.3 tp -58.68 -44.54 90.25 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.106 -0.638 . . . . 0.0 109.683 -179.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -55.05 -47.05 75.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.988 0.423 . . . . 0.0 110.083 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.29 -46.66 89.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.237 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 7.6 ttt -59.01 -43.72 91.57 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.613 -178.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -62.91 -44.57 95.72 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.251 0.548 . . . . 0.0 110.987 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.2 m -73.6 -43.26 60.12 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.085 0.469 . . . . 0.0 110.244 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.95 -52.72 37.64 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 -179.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.48 ' O ' ' O ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -65.69 -36.05 82.53 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.9 0.381 . . . . 0.0 110.146 179.459 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.479 ' N ' ' SD ' ' A' ' 47' ' ' MET . 15.8 tttp -63.29 -40.35 97.12 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.265 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 81.4 mt -66.8 -47.04 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.527 -179.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.574 ' O ' ' CB ' ' A' ' 51' ' ' SER . 22.2 t70 -153.04 -135.37 0.06 Allowed 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 118.935 -0.555 . . . . 0.0 109.63 -179.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.574 ' CB ' ' O ' ' A' ' 50' ' ' ASP . 24.5 p 130.62 -35.85 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.96 0 O-C-N 124.187 0.929 . . . . 0.0 110.355 179.044 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -60.76 -47.78 84.76 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.257 -178.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.424 HG23 ' H ' ' A' ' 56' ' ' CYS . 12.0 t -56.94 136.77 79.74 Favored Pre-proline 0 C--N 1.32 -0.693 0 C-N-CA 120.388 -0.525 . . . . 0.0 111.087 -179.255 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.94 -35.96 73.18 Favored 'Trans proline' 0 N--CA 1.497 1.734 0 C-N-CA 122.117 1.878 . . . . 0.0 112.641 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -55.33 -47.54 75.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.863 0.363 . . . . 0.0 110.466 -178.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.493 ' HG ' ' CD1' ' A' ' 60' ' ' LEU . 17.9 t -71.11 -32.06 68.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.076 179.488 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 59.3 ttt-85 -55.62 -52.25 64.43 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.443 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.474 ' CB ' ' HZ1' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -66.43 -41.4 89.26 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.699 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -60.37 -47.44 86.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.467 -179.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.493 ' CD1' ' HG ' ' A' ' 56' ' ' CYS . 24.4 mt -63.81 -41.42 97.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.644 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 57.1 m -53.1 -50.13 65.08 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.86 0.362 . . . . 0.0 110.644 -178.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -65.21 -43.61 91.0 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.449 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 36.2 tp -60.71 -42.9 98.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.262 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 37.7 ttm -65.51 -41.59 93.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.006 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -62.09 -39.41 92.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.331 -179.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -62.46 -42.93 99.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.446 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.7 mt -59.67 -45.43 92.09 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.611 -179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -67.22 -43.68 81.43 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.276 0.56 . . . . 0.0 110.232 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.67 -46.15 89.54 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.631 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.16 -42.49 86.09 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.331 -178.332 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -59.85 -41.53 91.66 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.081 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -59.99 -41.15 91.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.569 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -61.89 -42.65 99.33 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.381 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.3 mt -79.32 -29.15 42.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.144 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.72 -88.0 1.05 Allowed Glycine 0 N--CA 1.451 -0.366 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.455 ' O ' ' O ' ' A' ' 77' ' ' ASN . 0.4 OUTLIER -110.9 -62.98 1.46 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.835 0.35 . . . . 0.0 110.685 -179.43 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.455 ' O ' ' O ' ' A' ' 76' ' ' ASP . 33.9 t-20 48.49 105.83 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.674 -179.207 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -42.81 -50.97 5.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.303 -179.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -48.16 -27.72 2.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.686 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.436 ' C ' ' H ' ' A' ' 82' ' ' GLN . 49.4 mm -102.22 -50.38 9.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.01 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.13 5.23 1.27 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.532 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.436 ' H ' ' C ' ' A' ' 80' ' ' ILE . 69.3 mt-30 -156.21 102.16 2.1 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -58.1 -22.92 52.82 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.653 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.476 ' O ' ' SG ' ' A' ' 87' ' ' CYS . 72.6 mt -58.44 -55.8 20.32 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.678 -178.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.1 p -72.16 -34.25 49.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -55.85 -50.14 62.69 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -179.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.605 ' SG ' ' N ' ' A' ' 88' ' ' ALA . 15.8 p -63.19 -47.42 82.66 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.739 -0.384 . . . . 0.0 109.981 179.287 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.605 ' N ' ' SG ' ' A' ' 87' ' ' CYS . . . -55.78 -35.03 65.82 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.587 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -66.06 -43.47 87.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.128 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.7 mt -60.94 -41.16 95.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.929 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -62.53 -45.31 93.56 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.839 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -60.8 -42.37 97.48 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.366 -0.533 . . . . 0.0 110.916 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -63.46 -47.65 80.95 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.771 -0.371 . . . . 0.0 111.01 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.43 -46.69 85.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.985 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.5 -40.3 96.26 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.693 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -59.23 -44.74 92.32 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.318 -179.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.408 ' O ' ' OG ' ' A' ' 117' ' ' SER . 36.1 mmm -67.15 -42.75 83.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.047 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.478 ' CD2' ' OD2' ' A' ' 102' ' ' ASP . 38.8 t80 -63.4 -57.92 8.73 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.692 -179.174 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.74 -39.71 65.52 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.471 -179.111 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.432 ' CZ ' ' OE2' ' A' ' 104' ' ' GLU . 55.0 t80 -54.86 -48.15 73.31 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.854 -179.194 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.1 -38.87 86.43 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.989 179.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.478 ' OD2' ' CD2' ' A' ' 98' ' ' PHE . 80.4 m-20 -59.71 -46.85 87.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.789 -179.246 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -63.28 -44.07 96.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.625 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.432 ' OE2' ' CZ ' ' A' ' 100' ' ' TYR . 87.3 mt-10 -66.52 -31.74 72.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.566 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -68.38 -57.42 5.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.981 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 25.3 mtp-105 -64.33 -34.33 77.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.51 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.08 -12.1 35.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.452 -179.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 80.34 26.88 53.81 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 16.3 mmt85 -121.58 103.18 8.73 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.764 0.316 . . . . 0.0 110.227 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -99.88 141.82 32.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.329 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -154.03 169.9 22.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.677 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -62.43 -31.59 72.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.098 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -62.45 -33.6 75.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.56 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.411 ' HG2' ' N ' ' A' ' 115' ' ' ILE . 0.2 OUTLIER -57.89 -48.96 78.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.182 0.515 . . . . 0.0 109.613 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.411 ' N ' ' HG2' ' A' ' 114' ' ' MET . 53.4 mt -61.27 -44.82 99.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.553 -177.378 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.31 -40.12 95.29 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.787 179.192 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' A' ' 97' ' ' MET . 9.8 t -56.45 -51.35 68.74 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.831 -178.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -62.19 -47.3 85.11 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.484 -0.487 . . . . 0.0 110.854 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.429 ' CE1' ' CD2' ' A' ' 19' ' ' HIS . 44.3 t80 -60.94 -55.82 28.37 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-O 121.253 0.549 . . . . 0.0 110.689 -179.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 12.9 m -55.86 -44.38 78.02 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.247 -179.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -53.69 -37.58 63.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.102 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 6.5 p -62.42 -44.66 95.91 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-O 121.145 0.498 . . . . 0.0 110.901 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.9 mp -61.95 -39.88 93.65 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.161 0.505 . . . . 0.0 110.394 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 70.7 mt -62.27 -39.14 91.94 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.209 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 77.4 mt -59.68 -41.91 86.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.593 ' O ' ' OG1' ' A' ' 129' ' ' THR . 66.9 m-20 -59.43 -42.5 92.02 Favored 'General case' 0 C--O 1.245 0.856 0 CA-C-O 122.138 0.971 . . . . 0.0 109.912 179.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 94.0 t -59.36 -33.15 50.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.338 179.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 89.3 mt -73.27 -44.31 55.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.632 178.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.593 ' OG1' ' O ' ' A' ' 126' ' ' ASP . 36.6 p -48.25 -38.8 19.52 Favored 'General case' 0 CA--C 1.506 -0.737 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.508 -176.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 4.3 m -41.56 -34.14 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.047 -0.661 . . . . 0.0 110.948 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -63.28 -46.43 86.84 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.43 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 107.84 44.06 1.25 Allowed Glycine 0 CA--C 1.527 0.839 0 N-CA-C 111.388 -0.685 . . . . 0.0 111.388 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -128.19 57.43 1.57 Allowed 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 121.007 0.432 . . . . 0.0 109.998 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -84.92 90.04 7.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.057 0.456 . . . . 0.0 112.042 -178.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' THR . . . . . 0.661 ' N ' HD21 ' A' ' 138' ' ' ASN . 0.1 OUTLIER -92.49 145.83 24.15 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.395 179.47 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . 0.436 ' N ' ' HG1' ' A' ' 135' ' ' THR . 0.8 OUTLIER -39.24 -36.2 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.83 -179.432 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -57.67 -59.55 5.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.78 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . 0.661 HD21 ' N ' ' A' ' 135' ' ' THR . 2.2 p30 -50.8 -47.5 59.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.248 0.547 . . . . 0.0 110.712 -179.29 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . 0.485 ' N ' ' CG ' ' A' ' 138' ' ' ASN . 70.2 t -60.76 -43.25 94.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.266 -178.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.6 -42.37 96.65 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.781 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 26.8 m170 -65.86 -43.86 87.16 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.196 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 9.8 tmm_? -58.67 -44.71 90.29 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.48 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -64.77 -38.13 89.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.819 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -69.71 -44.05 71.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.912 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -58.47 -41.71 85.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.854 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 66.7 mtp180 -69.83 -40.59 75.76 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.196 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 24.3 t90 -58.14 -51.46 69.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.836 0.351 . . . . 0.0 110.658 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 11.8 mmtm -61.99 -41.75 98.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.052 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -51.3 -52.63 43.46 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 120.719 -0.393 . . . . 0.0 111.103 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 36.2 p -69.19 -40.28 78.17 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.263 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -55.88 -48.34 75.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.948 0.404 . . . . 0.0 110.945 -178.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 36.8 mt -63.85 -44.97 98.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.508 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -55.5 -43.06 75.31 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.485 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -62.55 -38.03 88.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.503 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . 0.601 ' O ' ' OD1' ' A' ' 158' ' ' ASN . 80.6 m -60.21 -36.18 77.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.168 0.508 . . . . 0.0 110.037 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 8.2 mp -67.68 -44.58 77.45 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 120.06 -0.656 . . . . 0.0 110.843 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -64.87 -43.36 93.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.442 -178.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' ASN . . . . . 0.601 ' OD1' ' O ' ' A' ' 155' ' ' CYS . 33.0 p30 -69.57 -19.97 63.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.547 -179.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . 0.562 ' N ' ' OD1' ' A' ' 158' ' ' ASN . . . 84.01 48.46 5.15 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.395 -1.082 . . . . 0.0 110.395 -178.503 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . 0.489 ' N ' ' OD1' ' A' ' 158' ' ' ASN . 58.4 mt-10 -141.61 159.77 41.53 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.82 0.343 . . . . 0.0 110.471 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 3.6 t -97.57 142.92 25.3 Favored Pre-proline 0 CA--C 1.535 0.383 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.297 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -68.75 155.15 69.7 Favored 'Trans proline' 0 N--CA 1.495 1.602 0 C-N-CA 122.512 2.142 . . . . 0.0 111.905 179.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 . . . . . 0 N--CA 1.464 0.23 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.079 179.777 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.259 0 N-CA-C 110.372 -1.091 . . . . 0.0 110.372 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.49 147.55 64.47 Favored Pre-proline 0 CA--C 1.535 0.38 0 CA-C-O 120.571 0.224 . . . . 0.0 110.424 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.74 -158.63 0.06 OUTLIER 'Trans proline' 0 N--CA 1.491 1.377 0 C-N-CA 122.653 2.235 . . . . 0.0 111.829 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 157' ' ' GLU . . . . . 0.538 ' N ' ' OE1' ' B' ' 157' ' ' GLU . 56.7 mp0 -99.32 117.55 34.01 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.886 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 34.6 mt -114.14 137.39 51.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.387 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -82.93 116.62 22.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.058 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 160' ' ' GLU . . . . . 0.569 ' CD ' ' H ' ' B' ' 160' ' ' GLU . 1.0 OUTLIER -54.88 -39.1 68.34 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.024 -179.412 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 161' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -62.9 -58.15 8.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.204 0.526 . . . . 0.0 110.636 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 162' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' B' ' 165' ' ' ALA . 29.9 m-20 -63.28 -48.3 78.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.435 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 14.3 tp -43.5 -49.55 7.3 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.438 -179.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -68.46 -31.24 70.4 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.971 -0.292 . . . . 0.0 110.786 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 165' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' B' ' 162' ' ' ASP . . . -65.81 -52.61 49.22 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 120.795 0.331 . . . . 0.0 111.507 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.29 -40.48 93.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.111 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.98 -50.99 68.6 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 119.841 -0.744 . . . . 0.0 110.362 -178.114 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 168' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -52.49 -46.04 66.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.235 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -60.47 -49.9 75.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.326 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 170' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' B' ' 174' ' ' LEU . 22.8 tp -59.58 -51.07 71.39 Favored 'General case' 0 C--O 1.218 -0.591 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 171' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' B' ' 175' ' ' LEU . . . -45.52 -55.24 7.05 Favored Glycine 0 C--O 1.223 -0.546 0 C-N-CA 120.296 -0.954 . . . . 0.0 111.535 -178.458 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 172' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.4 -52.13 65.89 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.542 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 -63.24 -52.01 63.9 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.523 -179.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 174' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' B' ' 170' ' ' LEU . 7.9 tt -63.21 -39.94 96.08 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.494 178.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 175' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' B' ' 171' ' ' GLY . 20.6 tp -46.6 -60.01 2.64 Favored 'General case' 0 C--O 1.215 -0.721 0 C-N-CA 120.045 -0.662 . . . . 0.0 110.701 179.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.447 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -177.733 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 182' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 . . . . . 0 C--O 1.237 0.415 0 CA-C-O 120.86 0.362 . . . . 0.0 110.537 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 183' ' ' LEU . . . . . . . . . . . . . 7.9 mp -61.78 -40.61 95.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.569 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 184' ' ' ASP . . . . . 0.536 ' OD1' ' NH1' ' A' ' 30' ' ' ARG . 9.9 m-20 -69.74 -27.67 65.15 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.486 179.46 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -64.13 -51.18 65.17 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.552 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 186' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.898 -179.888 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.0 mt . . . . . 0 N--CA 1.466 0.327 0 CA-C-O 121.158 0.504 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.3 143.96 16.91 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.466 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.81 138.27 37.27 Favored 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.48 2.12 . . . . 0.0 112.042 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 mt -75.44 150.17 84.6 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.499 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.475 ' O ' ' O ' ' A' ' 9' ' ' PRO . 17.8 Cg_endo -57.38 166.06 5.02 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 122.408 2.072 . . . . 0.0 111.963 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.475 ' O ' ' O ' ' A' ' 8' ' ' PRO . 85.6 Cg_exo -39.18 168.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.313 -1.333 0 C-N-CA 123.03 2.487 . . . . 0.0 111.708 179.481 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.66 98.85 22.13 Favored Pre-proline 0 CA--C 1.537 0.443 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.91 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -48.91 157.72 1.52 Allowed 'Trans proline' 0 N--CA 1.49 1.316 0 C-N-CA 122.18 1.92 . . . . 0.0 112.08 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.12 -40.19 92.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.137 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.9 pm0 -68.15 -23.13 64.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.03 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.478 ' O ' ' N ' ' A' ' 16' ' ' SER . 18.9 m-30 -102.68 -13.9 16.91 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-O 121.302 0.572 . . . . 0.0 110.536 -179.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.2 tttp -46.89 -17.04 0.04 OUTLIER 'General case' 0 C--N 1.317 -0.834 0 C-N-CA 120.191 -0.603 . . . . 0.0 110.164 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 14' ' ' PHE . 39.1 p -70.83 -53.51 15.0 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.011 0.434 . . . . 0.0 111.061 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 29.5 pt -67.99 -3.09 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.601 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -56.45 -41.02 75.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.196 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 43.4 m80 -60.49 -44.39 96.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.057 0.456 . . . . 0.0 110.73 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.564 ' ND1' ' SG ' ' A' ' 38' ' ' CYS . 1.6 t-80 -66.8 -41.32 87.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.648 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 93.2 mt -62.24 -41.71 98.67 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.633 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.67 -41.84 99.3 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.045 0.45 . . . . 0.0 109.984 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.9 m -58.36 -43.62 88.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.211 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 28' ' ' ASP . . . -67.79 -39.49 84.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.718 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.3 mm-40 -52.81 -42.5 65.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.152 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -75.11 -53.42 8.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.889 0.376 . . . . 0.0 110.43 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.543 ' O ' ' N ' ' A' ' 31' ' ' ASP . 63.6 m80 -60.02 -18.36 45.69 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.647 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 24' ' ' ALA . 61.5 t0 -48.94 -41.38 33.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.571 -179.181 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -90.5 -9.83 45.87 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.921 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -106.69 -62.82 1.35 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.776 0.322 . . . . 0.0 110.983 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.543 ' N ' ' O ' ' A' ' 27' ' ' HIS . 73.0 m-20 -122.36 95.6 46.86 Favored Pre-proline 0 C--O 1.235 0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.157 -179.316 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -71.14 -28.21 19.13 Favored 'Trans proline' 0 N--CA 1.492 1.439 0 C-N-CA 122.264 1.976 . . . . 0.0 111.97 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 90.2 t -61.57 -47.22 94.39 Favored 'Isoleucine or valine' 0 C--O 1.239 0.513 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.539 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.8 t -67.53 -41.9 86.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.833 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.09 -39.93 91.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.747 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -60.51 -52.23 66.09 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 121.006 0.432 . . . . 0.0 110.602 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -62.99 -36.62 84.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.227 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.564 ' SG ' ' ND1' ' A' ' 20' ' ' HIS . 11.8 t -58.87 -46.28 88.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.502 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.4 mtt-85 -58.54 -41.94 86.68 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.454 ' O ' ' HG3' ' A' ' 43' ' ' MET . 7.1 tp -56.96 -43.19 81.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.885 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -59.86 -41.12 90.76 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.3 179.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.28 -59.67 4.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.527 -178.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.462 ' C ' ' SD ' ' A' ' 43' ' ' MET . 0.2 OUTLIER -52.08 -39.4 59.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.72 -178.549 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -68.92 -41.72 77.76 Favored 'General case' 0 CA--C 1.523 -0.085 0 CA-C-O 121.105 0.478 . . . . 0.0 111.042 -179.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.4 m -72.15 -41.86 66.62 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.774 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -62.42 -49.58 72.66 Favored Glycine 0 CA--C 1.522 0.52 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.814 -178.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.494 ' O ' ' O ' ' A' ' 50' ' ' ASP . 9.3 ptt? -64.83 -36.98 86.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.36 . . . . 0.0 110.434 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.5 tptt -64.11 -45.85 86.78 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.526 -179.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 56.4 mt -64.59 -48.08 86.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.961 -179.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.494 ' O ' ' O ' ' A' ' 47' ' ' MET . 91.4 m-20 -96.92 -175.77 3.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.293 -179.491 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.1 p 176.63 -24.7 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.581 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.5 mttm -136.72 86.39 2.21 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.916 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -178.0 134.05 0.33 Allowed Pre-proline 0 C--N 1.324 -0.534 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.797 179.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.78 -32.29 18.77 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 122.181 1.921 . . . . 0.0 112.255 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -59.97 -59.68 5.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.144 0.497 . . . . 0.0 110.552 -179.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.01 -36.19 76.68 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.982 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 67.9 ttt-85 -55.45 -43.57 75.55 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.175 -178.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.455 ' O ' ' OG ' ' A' ' 61' ' ' SER . 42.1 tttp -63.61 -41.51 98.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.118 179.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -60.99 -44.21 97.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.517 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.5 mt -60.78 -44.37 96.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.689 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.521 ' HG ' ' H ' ' A' ' 62' ' ' LYS . 79.3 p -56.96 -44.68 82.86 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.163 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.521 ' H ' ' HG ' ' A' ' 61' ' ' SER . 28.1 mmtm -63.45 -39.94 95.81 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.516 179.005 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.07 -46.84 89.01 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.454 -178.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 1.8 mtt -64.48 -39.24 93.44 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.515 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -59.41 -45.47 91.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.558 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -66.26 -40.65 90.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.912 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.6 mt -56.86 -44.67 82.42 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.436 -0.506 . . . . 0.0 110.945 -179.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -66.42 -42.77 87.26 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.363 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.63 -40.98 88.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.642 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.19 -47.79 84.03 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.589 -178.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 51.4 tttm -59.75 -41.52 91.16 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.462 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -63.6 -41.44 98.33 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.719 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.56 -41.25 98.8 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.817 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 84.8 mt -78.04 -3.29 41.41 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.422 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.486 ' O ' ' CB ' ' A' ' 76' ' ' ASP . . . 50.85 48.77 43.82 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.935 179.236 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.508 ' O ' ' CB ' ' A' ' 77' ' ' ASN . 6.2 m-20 91.7 -100.58 0.0 OUTLIER 'General case' 0 CA--C 1.509 -0.612 0 O-C-N 124.398 0.705 . . . . 0.0 110.051 178.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' A' ' 76' ' ' ASP . 20.7 t-20 90.01 142.33 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.645 0 O-C-N 124.049 0.843 . . . . 0.0 110.019 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -65.33 -43.49 90.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.853 -179.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.69 -28.64 65.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.228 -178.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.501 ' CD1' ' N ' ' A' ' 80' ' ' ILE . 1.5 mp -93.65 -50.38 12.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.908 0.385 . . . . 0.0 111.121 -179.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 23.6 p -61.85 -50.1 73.6 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.005 -178.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -108.93 108.67 19.51 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.535 0.683 . . . . 0.0 110.491 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -60.85 -20.54 61.98 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.399 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.422 HG21 HD13 ' A' ' 84' ' ' ILE . 25.6 mm -54.85 -54.26 25.1 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.394 -178.404 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.3 p -71.05 -31.16 44.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.347 -0.388 . . . . 0.0 109.954 178.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.1 -43.52 96.97 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -68.74 -51.62 39.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.368 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.481 ' O ' ' ND2' ' A' ' 92' ' ' ASN . . . -53.99 -36.32 62.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.219 -179.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -66.26 -47.96 72.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.011 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.47 -44.44 97.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.931 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 73.2 tt0 -66.12 -49.67 66.7 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.732 -178.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 88' ' ' ALA . 3.8 m-80 -62.45 -42.26 99.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.674 -179.526 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -62.87 -45.78 90.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.346 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.99 -40.36 97.53 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.694 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 63.5 mt -62.82 -41.78 99.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.739 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -62.4 -44.48 96.34 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.307 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 37.4 tpp -67.6 -47.68 69.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.847 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.545 ' CG ' ' NE2' ' A' ' 141' ' ' HIS . 88.3 t80 -57.84 -51.39 69.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.343 -179.212 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 92.9 mt -61.59 -41.5 97.52 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.649 -179.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -50.96 -47.02 61.3 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.88 -39.24 79.9 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.938 0.399 . . . . 0.0 110.497 178.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -62.19 -42.16 99.02 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.159 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -63.72 -41.93 97.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.448 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -65.58 -34.9 79.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.116 -179.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -62.16 -46.88 87.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.619 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.78 -36.74 79.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.011 0.434 . . . . 0.0 110.522 179.363 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.06 -13.81 40.55 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.566 -0.454 . . . . 0.0 110.08 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 83.52 33.11 23.19 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -115.39 102.73 10.1 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.672 0.272 . . . . 0.0 110.341 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -103.54 133.37 48.68 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.856 0.36 . . . . 0.0 110.261 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.413 ' ND1' ' N ' ' A' ' 111' ' ' HIS . 0.1 OUTLIER -168.92 177.6 4.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.144 0.497 . . . . 0.0 110.596 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 32.9 mtmm -67.83 -16.47 64.12 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.815 179.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -62.6 -59.16 5.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.245 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 2.4 ppp? -61.77 -34.08 75.23 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 58.4 mt -60.54 -48.74 87.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 119.952 -0.699 . . . . 0.0 109.942 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -61.34 -35.29 77.01 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.331 -178.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 72.7 m -59.51 -47.79 84.14 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.055 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -61.44 -44.84 96.41 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.756 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.416 ' O ' ' OG ' ' A' ' 122' ' ' SER . 24.8 t80 -60.03 -53.72 54.46 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.087 -179.506 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 15.0 m -55.75 -40.91 73.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.07 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -57.88 -41.81 83.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.645 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.416 ' OG ' ' O ' ' A' ' 119' ' ' TYR . 56.4 p -60.45 -42.98 97.27 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 121.205 0.526 . . . . 0.0 110.969 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.1 mp -61.62 -39.48 91.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.211 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 91.4 mt -62.39 -37.12 84.51 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.395 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 86.4 mt -61.36 -43.49 96.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.485 ' O ' ' OG1' ' A' ' 129' ' ' THR . 2.4 m-20 -58.53 -41.97 86.72 Favored 'General case' 0 C--O 1.242 0.667 0 CA-C-O 121.305 0.574 . . . . 0.0 109.871 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.538 ' CG2' ' NE2' ' A' ' 20' ' ' HIS . 60.2 t -59.17 -35.09 55.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.683 179.051 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.403 HG23 HD11 ' A' ' 128' ' ' ILE . 93.6 mt -71.25 -44.67 73.05 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.592 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.411 178.336 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.485 ' OG1' ' O ' ' A' ' 126' ' ' ASP . 68.2 p -50.43 -36.99 35.66 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.578 -177.261 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 2.1 m -48.89 -22.25 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 C-N-CA 120.445 -0.502 . . . . 0.0 111.181 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -60.38 -25.81 66.18 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.142 -178.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 90.8 12.64 60.39 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -112.43 -92.94 0.47 Allowed 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 120.866 0.365 . . . . 0.0 110.261 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 13.1 tp 66.87 103.08 0.05 OUTLIER 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.138 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' THR . . . . . 0.54 ' HG1' ' N ' ' A' ' 136' ' ' ASP . 0.1 OUTLIER -89.19 165.67 14.31 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 179.381 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . 0.54 ' N ' ' HG1' ' A' ' 135' ' ' THR . 1.9 m-20 -53.13 -38.36 62.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.763 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -53.13 -49.58 66.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.788 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -62.47 -39.31 93.02 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.725 0.298 . . . . 0.0 110.765 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 49.1 t -61.0 -44.46 98.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -179.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -63.81 -36.63 84.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.72 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . 0.545 ' NE2' ' CG ' ' A' ' 98' ' ' PHE . 22.1 t-160 -59.83 -45.58 91.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.598 -179.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 30.7 ttp180 -64.11 -42.27 96.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.533 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -56.46 -40.21 74.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.041 0.448 . . . . 0.0 110.544 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -75.4 -34.76 61.09 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.499 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -63.04 -46.17 88.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.173 -179.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 50.1 ptt85 -70.33 -40.92 73.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.589 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 9.4 t90 -59.95 -52.42 65.46 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 120.991 0.424 . . . . 0.0 110.562 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 8.2 tptp -59.43 -56.63 19.6 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.244 -178.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -47.4 -45.57 25.47 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.949 0.404 . . . . 0.0 111.248 -179.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 75.2 p -66.97 -43.99 81.63 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.393 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' TYR . . . . . 0.489 ' O ' ' SG ' ' A' ' 155' ' ' CYS . 51.8 t80 -55.46 -44.81 76.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.57 -178.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . 0.401 HG23 HD13 ' A' ' 152' ' ' ILE . 38.6 mm -64.38 -43.98 97.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.641 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' HIS . . . . . 0.516 ' CD2' ' HZ1' ' A' ' 157' ' ' LYS . 5.3 t60 -64.92 -44.86 88.14 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.806 -178.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -65.08 -40.14 94.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.943 0.402 . . . . 0.0 111.014 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . 0.489 ' SG ' ' O ' ' A' ' 151' ' ' TYR . 91.8 m -64.75 -40.4 95.24 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.351 -179.114 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.432 ' CD2' ' C ' ' A' ' 156' ' ' LEU . 7.8 tt -61.81 -44.09 97.55 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.579 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.516 ' HZ1' ' CD2' ' A' ' 153' ' ' HIS . 91.4 mttt -61.45 -40.5 94.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.099 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -79.98 -22.87 42.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.821 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 75.5 49.62 9.0 Favored Glycine 0 CA--C 1.529 0.92 0 N-CA-C 110.639 -0.984 . . . . 0.0 110.639 -179.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -121.19 135.38 55.16 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.952 0.406 . . . . 0.0 110.981 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 18.7 m -64.33 115.98 24.3 Favored Pre-proline 0 CA--C 1.535 0.404 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.604 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -75.94 147.7 30.86 Favored 'Trans proline' 0 N--CA 1.493 1.459 0 C-N-CA 122.287 1.992 . . . . 0.0 112.161 -179.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 . . . . . 0 C--N 1.331 -0.204 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.245 179.657 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.398 0 N-CA-C 110.37 -1.092 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 1.1 p -132.64 152.76 80.52 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 120.723 0.297 . . . . 0.0 110.407 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -67.22 -179.22 1.71 Allowed 'Trans proline' 0 N--CA 1.494 1.5 0 C-N-CA 122.801 2.334 . . . . 0.0 111.817 179.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 157' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -80.26 96.08 6.5 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 20.5 mt -104.6 126.45 51.7 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.726 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 159' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' B' ' 160' ' ' GLU . 65.0 t0 -86.37 132.13 34.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.122 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 160' ' ' GLU . . . . . 0.433 ' N ' ' OD1' ' B' ' 159' ' ' ASP . 14.2 pt-20 -59.51 -35.85 74.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.011 -179.524 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 161' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -64.28 -57.11 10.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.395 0.617 . . . . 0.0 110.651 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 162' ' ' ASP . . . . . 0.419 ' O ' ' CG ' ' B' ' 166' ' ' GLU . 98.5 m-20 -63.18 -41.27 99.19 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.264 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 47.0 tp -52.4 -44.98 65.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.862 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 71.0 tt0 -69.41 -33.42 72.97 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.549 -179.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 165' ' ' ALA . . . . . . . . . . . . . . . -62.27 -45.89 91.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.241 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 166' ' ' GLU . . . . . 0.419 ' CG ' ' O ' ' B' ' 162' ' ' ASP . 0.0 OUTLIER -66.88 -47.82 70.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.439 -179.445 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.34 -48.3 79.35 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.206 -0.597 . . . . 0.0 110.313 -178.258 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 168' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -55.79 -47.67 76.68 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.282 -178.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 169' ' ' ALA . . . . . 0.41 ' CB ' ' HZ2' ' A' ' 157' ' ' LYS . . . -57.87 -46.07 85.4 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 38.2 tp -60.86 -43.94 97.69 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -49.08 -43.33 32.08 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.392 -1.083 . . . . 0.0 110.392 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 172' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -61.48 -48.71 79.86 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 121.608 0.718 . . . . 0.0 110.326 179.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -58.6 -42.76 88.87 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.749 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -68.5 -32.38 72.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.307 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 3.2 tp -56.05 -41.08 74.48 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.434 0 C-N-CA 120.169 -0.613 . . . . 0.0 110.818 179.603 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 182' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.358 0 N-CA-C 109.649 -0.501 . . . . 0.0 109.649 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 183' ' ' LEU . . . . . . . . . . . . . 25.5 mt -59.63 -43.17 93.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.972 -177.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 184' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -66.26 -32.26 73.58 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.43 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.6 -52.66 64.21 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 121.036 0.445 . . . . 0.0 110.406 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 186' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.986 -179.291 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.2 mt . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.894 0.378 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.2 152.03 78.83 Favored Pre-proline 0 CA--C 1.538 0.488 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.373 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -65.94 146.98 84.25 Favored 'Trans proline' 0 N--CA 1.497 1.694 0 C-N-CA 122.517 2.144 . . . . 0.0 111.543 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 64.7 mt -99.63 145.04 29.43 Favored Pre-proline 0 CA--C 1.537 0.456 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.726 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -65.44 169.14 13.08 Favored 'Trans proline' 0 N--CA 1.499 1.799 0 C-N-CA 122.742 2.295 . . . . 0.0 112.472 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -45.11 140.54 7.4 Favored 'Trans proline' 0 N--CA 1.491 1.344 0 C-N-CA 122.081 1.854 . . . . 0.0 111.43 179.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 tt -95.29 114.26 63.4 Favored Pre-proline 0 CA--C 1.537 0.479 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.23 -179.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -74.14 150.26 42.37 Favored 'Trans proline' 0 N--CA 1.495 1.611 0 C-N-CA 121.75 1.634 . . . . 0.0 112.105 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.35 -20.22 1.64 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.251 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -53.41 -35.52 60.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.688 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -109.88 36.14 3.11 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.03 0.443 . . . . 0.0 110.994 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 56.5 tttp -68.84 -30.66 69.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.995 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.2 m -65.88 -48.39 71.67 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.688 -179.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 42.5 pt -81.48 -13.91 12.53 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 CA-C-O 121.092 0.473 . . . . 0.0 110.578 -179.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.402 ' OE1' ' N ' ' A' ' 19' ' ' HIS . 6.4 tm0? -51.23 -41.24 60.17 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.747 -178.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.402 ' N ' ' OE1' ' A' ' 18' ' ' GLN . 2.6 m-70 -56.43 -39.13 72.57 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.729 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.619 ' ND1' ' SG ' ' A' ' 38' ' ' CYS . 0.2 OUTLIER -68.74 -37.52 79.48 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.649 179.455 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.6 mt -61.9 -43.9 97.9 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.566 -0.453 . . . . 0.0 111.006 -178.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.425 ' HE ' ' N ' ' A' ' 22' ' ' ARG . 1.6 mmp_? -66.22 -42.11 89.14 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-O 121.427 0.632 . . . . 0.0 110.142 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.438 HG22 ' HD1' ' A' ' 27' ' ' HIS . 33.1 m -62.44 -43.39 98.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.897 179.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 28' ' ' ASP . . . -60.78 -48.79 80.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.616 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.487 ' NE2' HH21 ' A' ' 39' ' ' ARG . 61.9 mm-40 -50.08 -46.13 53.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.685 -179.462 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -70.14 -52.17 25.64 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.636 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.545 ' O ' ' N ' ' A' ' 31' ' ' ASP . 3.5 m80 -61.01 -24.84 66.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.079 -179.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 24' ' ' ALA . 33.7 t0 -61.31 -41.19 96.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.78 0.324 . . . . 0.0 110.242 179.449 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.2 tptt -65.54 -44.55 86.52 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.229 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -84.17 -64.43 1.16 Allowed 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.304 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.545 ' N ' ' O ' ' A' ' 27' ' ' HIS . 5.5 m-20 -113.63 102.79 55.18 Favored Pre-proline 0 CA--C 1.54 0.591 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.88 -179.185 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -70.62 -28.14 21.5 Favored 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 121.739 1.626 . . . . 0.0 112.216 -178.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 57.3 t -62.81 -46.91 95.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.698 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 60.5 t -64.22 -45.38 96.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.23 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.28 -36.85 85.03 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.444 -0.503 . . . . 0.0 110.789 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -57.77 -55.3 36.67 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.062 0.458 . . . . 0.0 110.915 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -63.19 -31.17 72.25 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.72 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.619 ' SG ' ' ND1' ' A' ' 20' ' ' HIS . 7.3 t -60.58 -49.42 77.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.268 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.487 HH21 ' NE2' ' A' ' 25' ' ' GLN . 4.3 mpt_? -60.87 -39.54 89.55 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 tt -57.11 -45.78 83.17 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 119.952 -0.699 . . . . 0.0 110.079 -179.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.434 ' CE1' ' OG1' ' A' ' 45' ' ' THR . 10.3 t80 -56.53 -47.82 78.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.967 0.413 . . . . 0.0 110.491 179.237 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.25 -51.88 67.57 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.933 -178.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.456 ' C ' ' SD ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -51.0 -63.72 1.04 Allowed 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 120.79 0.328 . . . . 0.0 111.351 -179.365 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -57.7 -37.75 74.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.835 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.434 ' OG1' ' CE1' ' A' ' 41' ' ' TYR . 91.2 m -69.16 -42.65 75.62 Favored 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 120.302 -0.559 . . . . 0.0 111.232 -179.175 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.06 -36.16 91.89 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.529 ' HG2' ' N ' ' A' ' 48' ' ' LYS . 2.2 ptm -66.16 -43.12 87.86 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-O 120.921 0.391 . . . . 0.0 110.221 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.529 ' N ' ' HG2' ' A' ' 47' ' ' MET . 95.9 mttt -64.2 -42.97 96.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.247 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 72.2 mt -64.83 -50.06 77.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 120.436 -0.506 . . . . 0.0 111.573 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 47' ' ' MET . 1.9 m-20 -94.69 -178.09 4.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.372 -179.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 57.7 m -166.31 -46.05 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.885 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -122.91 98.47 5.92 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -171.83 128.57 0.64 Allowed Pre-proline 0 C--N 1.324 -0.538 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.518 178.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -69.99 -33.94 14.75 Favored 'Trans proline' 0 N--CA 1.495 1.578 0 C-N-CA 121.698 1.599 . . . . 0.0 112.051 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.5 -46.12 84.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.043 0.449 . . . . 0.0 110.055 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 76.7 m -67.61 -37.54 82.67 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.193 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -59.09 -46.81 87.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.609 -179.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.5 ttpt -71.81 -39.73 69.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.262 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -58.46 -44.84 89.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.128 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 22.7 mt -64.06 -42.32 97.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.81 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.7 t -59.5 -43.89 93.25 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.697 -179.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.407 ' CB ' ' HZ3' ' A' ' 62' ' ' LYS . 0.2 OUTLIER -63.26 -43.66 97.35 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.425 -179.894 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.5 tp -61.84 -38.97 90.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.027 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 43.1 ttp -58.74 -44.73 90.58 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -61.33 -38.43 86.84 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.264 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -65.93 -40.39 91.38 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.474 -0.49 . . . . 0.0 111.034 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.2 mt -58.87 -58.46 8.51 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.632 0.253 . . . . 0.0 111.37 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -62.44 -37.16 84.81 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.077 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.95 -49.15 77.78 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.459 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.13 -47.78 84.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.226 -178.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -57.59 -32.13 66.87 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.45 -0.5 . . . . 0.0 109.809 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.3 tptt -63.09 -44.36 95.93 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.701 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -61.99 -45.21 94.6 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.985 0.421 . . . . 0.0 110.723 -179.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.518 ' O ' ' N ' ' A' ' 76' ' ' ASP . 45.2 mt -65.38 -29.75 70.5 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.272 -179.483 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 49.2 -84.2 0.01 OUTLIER Glycine 0 CA--C 1.524 0.653 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.065 179.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 74' ' ' LEU . 85.6 m-20 -94.95 81.15 3.7 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -178.195 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.418 HD21 HD11 ' A' ' 74' ' ' LEU . 60.5 t-20 -134.11 121.19 21.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.211 0.529 . . . . 0.0 110.795 179.165 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.515 ' C ' ' H ' ' A' ' 80' ' ' ILE . 21.9 mt-10 -71.77 -37.33 70.5 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.742 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.48 4.64 0.23 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.178 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.515 ' H ' ' C ' ' A' ' 78' ' ' GLU . 10.0 mm -134.3 -48.39 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 40.6 p -65.42 -41.82 93.17 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.467 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -109.28 109.1 19.92 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.322 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -21.33 57.02 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.63 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 58.3 mt -56.06 -56.05 15.05 Favored 'Isoleucine or valine' 0 C--O 1.238 0.493 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.227 -178.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.6 p -73.94 -34.26 38.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.072 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.53 ' O ' ' ND1' ' A' ' 89' ' ' HIS . . . -57.52 -44.95 93.6 Favored Glycine 0 CA--C 1.52 0.375 0 N-CA-C 110.454 -1.059 . . . . 0.0 110.454 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 12.6 t -66.71 -48.37 69.44 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.579 179.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.71 -44.94 82.06 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.938 -179.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.53 ' ND1' ' O ' ' A' ' 86' ' ' GLY . 0.0 OUTLIER -59.56 -43.0 93.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.255 179.874 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.85 -45.14 95.08 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.413 -178.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -66.93 -41.5 86.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -63.78 -47.31 81.42 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 121.029 -0.268 . . . . 0.0 111.254 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -64.15 -45.12 89.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.896 0.379 . . . . 0.0 110.702 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.98 -41.94 90.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 29.8 tp -62.89 -45.0 94.6 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.271 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -61.53 -40.06 93.31 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.659 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 29.7 tpp -63.67 -50.05 70.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.975 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -59.63 -47.52 85.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -178.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -59.44 -40.94 88.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.499 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -59.08 -47.51 85.0 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.199 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.86 -44.44 73.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.022 0.439 . . . . 0.0 110.941 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -62.25 -40.09 95.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.368 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -63.25 -41.22 99.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.729 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -62.42 -37.98 87.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.461 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -62.17 -47.98 82.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.95 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 56.3 ttp180 -63.44 -40.82 98.17 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.429 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.38 -6.11 3.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.714 -179.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 75.19 30.08 59.41 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 179.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.569 ' O ' ' SD ' ' A' ' 114' ' ' MET . 0.9 OUTLIER -106.67 111.51 24.09 Favored 'General case' 0 C--O 1.222 -0.391 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.751 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -100.32 135.07 42.32 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.25 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -164.79 149.99 9.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.14 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 46.6 pttt -59.76 -34.73 73.36 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 120.961 0.41 . . . . 0.0 110.978 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -55.44 -35.63 65.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.158 -179.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.569 ' SD ' ' O ' ' A' ' 109' ' ' ARG . 71.0 mtp -62.28 -42.05 99.02 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.791 -179.56 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 81.1 mt -60.96 -48.47 88.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.063 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -64.16 -34.91 79.15 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.261 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 6.5 t -61.05 -45.91 92.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.91 -179.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -64.28 -40.76 96.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.588 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -60.54 -50.24 74.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.024 0.44 . . . . 0.0 110.187 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 18.8 m -57.9 -41.59 82.91 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.292 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -57.08 -45.07 83.63 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.123 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 39.1 p -60.26 -42.13 94.7 Favored 'General case' 0 C--O 1.244 0.808 0 CA-C-O 121.278 0.561 . . . . 0.0 111.645 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 62.9 mt -59.98 -39.88 87.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.729 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 97.8 mt -62.13 -41.22 98.05 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.104 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 28.5 mm -55.38 -44.71 76.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.067 -0.653 . . . . 0.0 109.359 -179.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.413 ' O ' ' OG1' ' A' ' 129' ' ' THR . 3.1 t70 -58.44 -43.32 88.72 Favored 'General case' 0 C--O 1.25 1.119 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.191 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.406 ' O ' ' CG2' ' A' ' 130' ' ' VAL . 67.5 t -58.19 -28.77 35.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.617 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 70.5 mt -77.23 -44.16 30.89 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.16 0 CA-C-O 121.06 0.457 . . . . 0.0 110.539 178.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 132' ' ' GLY . 82.6 p -49.89 -34.03 19.0 Favored 'General case' 0 CA--C 1.516 -0.361 0 C-N-CA 120.201 -0.6 . . . . 0.0 110.429 -178.191 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.406 ' CG2' ' O ' ' A' ' 127' ' ' VAL . 5.4 m -41.41 -32.93 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 C-N-CA 120.155 -0.618 . . . . 0.0 111.122 179.241 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -63.01 -41.5 99.59 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.271 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 129' ' ' THR . . . 104.15 -32.75 7.2 Favored Glycine 0 N--CA 1.465 0.581 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -85.45 66.43 9.68 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.77 0.319 . . . . 0.0 110.155 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 21.2 tp -86.4 122.18 30.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.261 -179.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.2 t -86.99 157.82 19.38 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.129 0.49 . . . . 0.0 111.0 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -56.63 -34.57 67.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.393 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 -48.23 -48.84 34.87 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.679 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -66.52 -39.4 88.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.423 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 58.1 t -59.98 -44.43 94.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.384 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.18 -41.0 70.89 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.584 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 3.4 m170 -66.82 -48.86 67.62 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.638 -178.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . 0.411 HH11 HH11 ' A' ' 146' ' ' ARG . 5.5 ppt_? -62.51 -38.06 88.46 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.345 -179.034 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -64.3 -40.19 95.43 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.94 0.4 . . . . 0.0 110.815 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -73.69 -40.13 63.86 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.688 -179.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -62.23 -42.21 99.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.32 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . 0.411 HH11 HH11 ' A' ' 142' ' ' ARG . 61.1 mtp180 -66.69 -40.88 88.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.451 179.526 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 22.7 t90 -62.48 -49.93 73.44 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.789 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 4.9 mmtm -63.35 -39.84 95.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.102 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -55.83 -53.13 60.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.603 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 62.0 p -71.8 -38.8 70.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.584 -179.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' TYR . . . . . 0.505 ' O ' ' SG ' ' A' ' 155' ' ' CYS . 62.3 t80 -51.07 -53.58 32.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.94 -178.554 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 57.9 mt -70.13 -45.39 76.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.52 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' HIS . . . . . 0.669 ' ND1' ' N ' ' A' ' 154' ' ' ASN . 0.0 OUTLIER -57.85 -57.18 13.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.801 -179.496 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' ASN . . . . . 0.669 ' N ' ' ND1' ' A' ' 153' ' ' HIS . 0.3 OUTLIER -59.78 -39.97 86.71 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.103 -178.489 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . 0.505 ' SG ' ' O ' ' A' ' 151' ' ' TYR . 56.3 m -58.06 -36.33 72.64 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 119.654 -0.818 . . . . 0.0 109.264 179.4 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -64.61 -42.6 95.43 Favored 'General case' 0 N--CA 1.436 -1.169 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.709 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 53.7 mmtt -63.92 -41.86 97.54 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.398 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -73.5 -15.91 61.3 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.58 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 81.1 45.73 7.41 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.56 -1.016 . . . . 0.0 110.56 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -120.13 142.64 48.74 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.725 0.297 . . . . 0.0 110.39 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 28.5 m -84.22 116.64 65.88 Favored Pre-proline 0 CA--C 1.544 0.74 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.925 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -54.43 153.28 23.29 Favored 'Trans proline' 0 N--CA 1.503 2.043 0 C-N-CA 121.909 1.739 . . . . 0.0 112.615 179.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 . . . . . 0 N--CA 1.464 0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.383 179.614 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.604 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.42 162.25 50.55 Favored Pre-proline 0 CA--C 1.535 0.386 0 CA-C-O 120.672 0.272 . . . . 0.0 110.481 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -66.73 -159.64 0.04 OUTLIER 'Trans proline' 0 N--CA 1.494 1.512 0 C-N-CA 122.439 2.092 . . . . 0.0 111.593 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 157' ' ' GLU . . . . . 0.491 ' CD ' ' H ' ' B' ' 157' ' ' GLU . 2.1 pm0 -102.3 115.09 29.84 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -121.46 140.54 52.04 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 -179.257 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -79.64 144.14 34.04 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.076 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 160' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.14 -39.11 88.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.838 0.352 . . . . 0.0 110.97 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 161' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -64.45 -48.62 74.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.032 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 162' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -61.19 -37.12 81.8 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.596 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 12.2 mt -60.01 -43.25 95.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.245 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -63.98 -36.42 83.92 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.32 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 165' ' ' ALA . . . . . . . . . . . . . . . -59.01 -48.73 80.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.29 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.62 -43.86 83.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.818 -178.68 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.46 -54.05 50.16 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.892 -178.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 168' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -52.16 -47.58 65.38 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.196 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -61.84 -47.52 84.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.401 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 7.5 tt -56.66 -44.77 81.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.35 -178.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -59.98 -41.01 97.7 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 172' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -59.72 -43.76 94.01 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.489 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -63.19 -48.61 77.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.325 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 10.4 mp -64.51 -35.76 82.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.261 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 5.2 tp -59.5 -46.0 90.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.099 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.427 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.544 -179.991 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 182' ' ' TYR . . . . . . . . . . . . . 3.9 t80 . . . . . 0 CA--C 1.528 0.112 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 183' ' ' LEU . . . . . . . . . . . . . 89.7 mt -60.62 -43.48 97.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.399 -178.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 184' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -67.55 -33.79 75.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.092 0.473 . . . . 0.0 110.485 178.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -62.58 -55.64 25.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.549 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 186' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.356 0 CA-C-O 121.107 0.479 . . . . 0.0 110.412 -179.712 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.465 ' N ' ' CD1' ' A' ' 4' ' ' LEU . 9.4 mp . . . . . 0 CA--C 1.513 -0.447 0 CA-C-O 121.111 0.481 . . . . 0.0 110.671 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.94 154.48 68.05 Favored Pre-proline 0 N--CA 1.446 -0.658 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.148 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_exo -61.36 148.37 93.11 Favored 'Trans proline' 0 N--CA 1.501 1.922 0 C-N-CA 122.566 2.177 . . . . 0.0 112.199 179.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.2 mt -79.43 151.15 74.58 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.922 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo -56.54 167.38 2.84 Favored 'Trans proline' 0 N--CA 1.497 1.729 0 C-N-CA 122.586 2.191 . . . . 0.0 111.982 179.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -36.24 143.67 0.1 Allowed 'Trans proline' 0 C--N 1.313 -1.309 0 C-N-CA 122.912 2.408 . . . . 0.0 111.582 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.5 tp -102.95 106.82 52.57 Favored Pre-proline 0 CA--C 1.541 0.6 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.918 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -48.92 165.54 0.18 Allowed 'Trans proline' 0 N--CA 1.491 1.355 0 C-N-CA 122.335 2.024 . . . . 0.0 112.216 178.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.24 -41.39 61.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.783 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.41 -12.58 0.72 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.858 -179.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -109.83 24.33 13.19 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.35 0.595 . . . . 0.0 110.727 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.92 -32.78 74.66 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.42 178.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.8 p -64.15 -48.05 77.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.833 0.349 . . . . 0.0 111.791 -179.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 44.8 pt -76.4 -16.23 15.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.521 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -45.34 -46.39 12.98 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.528 -179.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.462 ' CD2' ' HH ' ' A' ' 119' ' ' TYR . 58.9 m80 -59.4 -43.35 92.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.971 0.415 . . . . 0.0 110.887 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 75.8 m80 -62.5 -41.61 98.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.925 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.0 mt -62.79 -47.57 82.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.806 0.336 . . . . 0.0 111.301 -178.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 50.0 mmm-85 -67.65 -37.33 82.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.859 0.361 . . . . 0.0 110.264 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 63.2 m -61.4 -43.95 97.99 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.182 179.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.531 ' O ' ' N ' ' A' ' 28' ' ' ASP . . . -66.86 -41.19 87.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.577 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -52.09 -46.78 65.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.496 -179.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -67.84 -46.01 73.01 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.642 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.568 ' O ' ' N ' ' A' ' 31' ' ' ASP . 0.8 OUTLIER -69.74 -22.95 63.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.544 179.81 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.531 ' N ' ' O ' ' A' ' 24' ' ' ALA . 55.2 t0 -58.95 -47.53 84.75 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.588 -179.436 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -63.5 -46.24 87.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.03 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 56.2 ttt85 -83.35 -62.3 1.62 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.903 0.382 . . . . 0.0 111.205 -179.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.568 ' N ' ' O ' ' A' ' 27' ' ' HIS . 28.7 m-20 -107.98 94.61 13.06 Favored Pre-proline 0 CA--C 1.54 0.566 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.18 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -69.21 -31.41 23.02 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 122.117 1.878 . . . . 0.0 111.978 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 69.3 t -65.49 -46.83 88.76 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.07 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 85.1 t -62.28 -43.98 98.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.949 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.49 -40.28 94.01 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.557 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -54.48 -50.79 66.93 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -65.76 -40.0 91.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.427 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 10.9 t -58.62 -45.93 88.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.574 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -58.74 -41.96 87.72 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 tp -56.05 -44.27 78.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.087 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -57.73 -46.03 85.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.093 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.49 -53.42 58.27 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.674 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.467 ' SD ' ' SD ' ' A' ' 47' ' ' MET . 10.3 tmm? -52.94 -46.91 68.37 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 120.855 0.36 . . . . 0.0 110.686 -179.175 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -58.51 -44.87 89.66 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.723 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.6 m -74.76 -24.83 58.75 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.761 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -71.54 -52.45 12.66 Favored Glycine 0 CA--C 1.527 0.795 0 C-N-CA 121.064 -0.588 . . . . 0.0 111.819 -179.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.467 ' SD ' ' SD ' ' A' ' 43' ' ' MET . 6.1 ptt? -65.65 -34.36 78.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.689 0.28 . . . . 0.0 110.263 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -61.64 -46.09 91.26 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.608 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 79.6 mt -71.16 -51.59 33.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.005 0.431 . . . . 0.0 111.105 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.79 118.4 5.68 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.024 -178.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.7 m -111.38 -68.84 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.219 179.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp -132.51 101.62 5.4 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.216 0.531 . . . . 0.0 109.971 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -178.93 101.86 0.2 Allowed Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.378 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -52.22 -35.16 62.3 Favored 'Trans proline' 0 N--CA 1.496 1.67 0 C-N-CA 122.443 2.096 . . . . 0.0 112.505 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -55.36 -56.97 14.01 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.652 0.739 . . . . 0.0 110.401 -179.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 92.8 m -64.64 -28.78 69.85 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.551 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 -58.68 -49.43 77.6 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 121.032 0.444 . . . . 0.0 110.68 -179.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.88 -42.21 88.95 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.048 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -57.17 -45.88 83.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.648 -179.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -61.63 -42.21 98.56 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.642 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 69.8 m -57.75 -42.01 83.11 Favored 'General case' 0 C--N 1.316 -0.884 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.036 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.6 tptt -64.14 -43.4 95.35 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.333 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 45.9 tp -62.79 -41.58 99.33 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.283 -179.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 36.9 ttm -63.67 -39.56 94.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.827 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -62.17 -38.87 90.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.234 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -62.64 -43.4 98.9 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.165 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.4 mt -59.84 -44.25 94.17 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.356 -0.537 . . . . 0.0 110.415 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -64.36 -41.2 96.85 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.37 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.93 -41.84 86.35 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.415 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.37 -42.93 99.51 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.223 0.535 . . . . 0.0 110.001 -178.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.96 -45.48 93.46 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.534 0.683 . . . . 0.0 109.786 -179.422 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -61.17 -39.54 90.51 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.609 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -56.48 -50.49 71.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.515 -179.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 72.1 mt -68.7 -30.82 69.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.712 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.425 ' O ' ' OD1' ' A' ' 76' ' ' ASP . . . 88.7 -80.92 1.57 Allowed Glycine 0 CA--C 1.521 0.462 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' A' ' 75' ' ' GLY . 0.8 OUTLIER -150.58 66.71 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.785 -179.699 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 -74.73 136.44 41.77 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -59.51 -40.5 87.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.903 0.382 . . . . 0.0 110.983 -179.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.99 -32.66 74.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.324 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 44.5 mm -92.59 -47.17 14.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.843 0.354 . . . . 0.0 111.049 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 40.9 p -62.13 -41.36 98.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.45 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -115.15 113.99 24.7 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-O 121.28 0.562 . . . . 0.0 110.336 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.52 ' O ' ' SG ' ' A' ' 87' ' ' CYS . 18.0 pt-20 -60.73 -31.47 70.77 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.631 -179.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 65.6 mt -50.26 -60.56 0.8 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.531 0 CA-C-O 121.03 0.443 . . . . 0.0 111.747 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -68.19 -34.29 65.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -60.36 -37.38 93.03 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 -179.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.604 ' SG ' ' CE1' ' A' ' 131' ' ' PHE . 68.1 m -68.32 -50.23 54.87 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.418 ' O ' ' ND2' ' A' ' 92' ' ' ASN . . . -52.59 -45.36 66.48 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.693 -179.282 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 49.8 t60 -64.29 -46.16 84.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.186 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.61 -42.3 98.69 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.494 -178.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -66.57 -44.79 81.33 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.193 -179.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.418 ' ND2' ' O ' ' A' ' 88' ' ' ALA . 2.1 m-80 -62.4 -42.38 99.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.818 -179.388 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -63.77 -44.41 93.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.65 -43.16 99.37 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.796 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.0 tt -65.02 -43.44 92.45 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.39 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -55.84 -42.97 76.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.985 -179.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 40.1 tpp -65.37 -47.04 77.78 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.636 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.647 ' CD2' ' NE2' ' A' ' 141' ' ' HIS . 69.9 t80 -64.07 -60.03 3.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.965 -179.354 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.56 -43.13 24.97 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.586 -179.089 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -59.14 -45.94 89.66 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.591 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -70.77 -47.32 60.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.059 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -62.79 -40.39 97.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.86 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -62.56 -44.28 96.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.856 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.76 -39.38 87.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.028 0.442 . . . . 0.0 110.161 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -56.7 -43.87 80.94 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.092 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 57.5 ttp180 -61.99 -43.41 98.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.117 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.06 -4.8 3.8 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.475 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 82.78 22.5 57.85 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -94.33 102.14 14.12 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.867 0.365 . . . . 0.0 110.696 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -106.38 134.87 48.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.202 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -166.36 173.19 10.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.381 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -63.53 -31.09 72.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.242 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -58.33 -34.3 70.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.275 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 3.6 mmm -60.75 -43.57 97.79 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 33.6 mm -62.82 -48.74 86.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.32 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 33.6 mmtt -58.29 -42.74 87.28 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.135 -179.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.434 ' OG ' ' N ' ' A' ' 118' ' ' PHE . 54.1 p -58.23 -58.74 7.14 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.561 -0.455 . . . . 0.0 111.418 -178.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.434 ' N ' ' OG ' ' A' ' 117' ' ' SER . 45.9 m-85 -56.75 -43.41 80.72 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.954 -179.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.462 ' HH ' ' CD2' ' A' ' 19' ' ' HIS . 58.0 t80 -57.7 -55.89 28.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.523 0.677 . . . . 0.0 110.024 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 86.3 m -61.35 -38.97 88.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.207 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -54.66 -46.32 74.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.588 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.405 ' OG ' ' O ' ' A' ' 119' ' ' TYR . 82.0 p -61.09 -44.27 97.62 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.068 0.461 . . . . 0.0 110.567 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.5 mp -62.24 -40.66 96.9 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.003 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 52.4 mt -59.74 -40.53 88.38 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-O 121.582 0.706 . . . . 0.0 110.35 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 3.5 mm -62.16 -41.69 92.27 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.276 0 C-N-CA 120.164 -0.614 . . . . 0.0 110.658 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.405 ' O ' ' OG1' ' A' ' 129' ' ' THR . 96.0 m-20 -58.58 -45.27 89.39 Favored 'General case' 0 C--O 1.243 0.742 0 CA-C-O 121.076 0.465 . . . . 0.0 111.715 -178.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.425 ' O ' ' CG2' ' A' ' 130' ' ' VAL . 0.7 OUTLIER -63.59 -31.84 54.49 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.698 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.326 179.648 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 76.4 mt -72.21 -47.92 51.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.771 0.796 . . . . 0.0 110.334 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.527 ' O ' ' N ' ' A' ' 131' ' ' PHE . 68.9 p -50.31 -38.53 42.03 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.745 -178.114 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.425 ' CG2' ' O ' ' A' ' 127' ' ' VAL . 2.5 m -44.08 -15.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 C-N-CA 119.919 -0.712 . . . . 0.0 111.464 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.604 ' CE1' ' SG ' ' A' ' 87' ' ' CYS . 13.2 m-85 -62.83 -9.73 10.6 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.137 -178.363 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 111.06 -68.6 0.22 Allowed Glycine 0 CA--C 1.519 0.313 0 N-CA-C 111.609 -0.597 . . . . 0.0 111.609 179.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.525 ' OE1' ' N ' ' A' ' 133' ' ' GLU . 56.4 mp0 -123.08 127.9 49.38 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-O 120.978 0.418 . . . . 0.0 111.026 -178.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 12.2 tp -125.18 158.67 33.4 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.322 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' THR . . . . . 0.428 ' HG1' ' H ' ' A' ' 137' ' ' GLU . 3.0 t -76.7 150.04 36.35 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.452 0.644 . . . . 0.0 110.613 179.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -60.24 -35.4 75.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.346 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.428 ' H ' ' HG1' ' A' ' 135' ' ' THR . 1.6 tm-20 -46.87 -42.0 16.7 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.488 0.661 . . . . 0.0 109.952 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -73.3 -35.56 66.14 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.744 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 40.7 t -57.56 -55.75 19.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.299 -178.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -62.32 -37.31 85.11 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.454 -0.498 . . . . 0.0 109.834 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . 0.647 ' NE2' ' CD2' ' A' ' 98' ' ' PHE . 52.2 t-80 -54.48 -45.99 73.31 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . 0.498 ' NH1' ' CZ ' ' A' ' 146' ' ' ARG . 78.6 ttt-85 -60.5 -44.04 96.4 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.329 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -61.53 -38.48 87.56 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.392 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' TYR . . . . . 0.493 ' OH ' ' OG1' ' B' ' 155' ' ' THR . 2.7 m-85 -72.49 -41.72 65.66 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.694 -179.177 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -59.56 -44.87 93.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.756 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . 0.498 ' CZ ' ' NH1' ' A' ' 142' ' ' ARG . 77.8 mtm180 -66.01 -43.74 86.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.74 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -59.89 -47.42 85.84 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.354 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -60.57 -41.52 94.77 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.522 -178.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.56 -47.07 87.0 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.131 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 59.1 p -71.71 -43.72 65.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.49 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -53.99 -51.19 64.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.765 -178.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 52.3 mt -64.33 -45.16 96.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.278 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 50.4 t60 -60.25 -45.82 91.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.267 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -66.68 -36.62 82.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.834 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.87 -63.26 1.21 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.085 -179.084 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.5 pp -61.14 -29.84 70.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.074 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -59.55 -42.22 91.9 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.432 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -82.01 -12.02 58.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.11 -179.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 85.46 43.82 6.4 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -117.59 141.04 48.84 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.079 0.466 . . . . 0.0 110.988 -179.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 1.5 m -66.65 128.7 93.98 Favored Pre-proline 0 CA--C 1.54 0.575 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.176 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -63.32 137.92 63.31 Favored 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 121.826 1.684 . . . . 0.0 112.108 178.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.273 179.428 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 0.144 0 N-CA-C 110.296 -1.121 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 155' ' ' THR . . . . . 0.493 ' OG1' ' OH ' ' A' ' 144' ' ' TYR . 2.6 m -126.21 130.54 23.92 Favored Pre-proline 0 N--CA 1.467 0.419 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -61.89 124.1 13.86 Favored 'Trans proline' 0 N--CA 1.493 1.493 0 C-N-CA 122.48 2.12 . . . . 0.0 112.669 -178.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 157' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -59.78 142.48 53.22 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.989 0.423 . . . . 0.0 110.514 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -135.16 153.09 52.09 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.997 -178.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -76.36 123.25 25.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.023 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 160' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -58.04 -39.48 78.5 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.583 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 161' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -62.57 -48.04 81.19 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.137 0.494 . . . . 0.0 110.412 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 162' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -65.8 -38.31 88.62 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.293 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 13.0 tp -57.35 -47.05 82.6 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.347 -178.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -64.71 -35.28 80.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.051 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 165' ' ' ALA . . . . . . . . . . . . . . . -58.31 -47.74 82.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.165 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.07 -49.66 66.82 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.572 -179.045 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.02 -56.24 15.52 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.047 -178.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 168' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -50.7 -49.09 58.33 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.8 -178.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -60.4 -48.95 79.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.902 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 68.9 tp -54.78 -46.37 74.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.805 -178.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -57.51 -43.25 94.16 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 -179.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 172' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -57.32 -44.56 84.27 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -62.99 -45.56 91.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.168 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 91.0 mt -63.51 -38.33 90.72 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.221 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.37 -44.73 92.68 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.117 -178.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.679 0 C-N-CA 120.131 -0.628 . . . . 0.0 111.083 -179.807 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 182' ' ' TYR . . . . . . . . . . . . . 1.2 p90 . . . . . 0 CA--C 1.529 0.147 0 CA-C-O 121.057 0.456 . . . . 0.0 110.043 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 183' ' ' LEU . . . . . . . . . . . . . 10.4 tp -58.27 -46.67 85.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.788 -177.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 184' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -68.07 -35.17 77.76 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.34 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -70.0 -42.09 73.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.818 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 186' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.494 -179.693 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.4 mt . . . . . 0 CA--C 1.518 -0.275 0 CA-C-O 120.954 0.406 . . . . 0.0 110.684 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.49 155.26 2.7 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.201 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -66.2 146.03 80.19 Favored 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 122.758 2.305 . . . . 0.0 112.123 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 20.6 mt -73.58 140.48 78.68 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.231 -179.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -69.39 167.39 24.08 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.481 2.12 . . . . 0.0 112.136 179.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -38.59 126.29 1.03 Allowed 'Trans proline' 0 C--N 1.316 -1.173 0 C-N-CA 122.449 2.099 . . . . 0.0 111.618 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 tt -99.23 116.87 64.84 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.384 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.51 149.93 29.13 Favored 'Trans proline' 0 N--CA 1.496 1.644 0 C-N-CA 122.323 2.015 . . . . 0.0 111.754 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.48 -19.97 65.9 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.851 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -59.78 -24.84 64.42 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.754 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -108.38 21.01 17.9 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 121.269 0.557 . . . . 0.0 110.483 -179.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.421 ' NZ ' ' NE2' ' A' ' 19' ' ' HIS . 7.0 tmtm? -59.52 -26.59 65.45 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.05 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.6 t -64.86 -47.96 76.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.86 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 30.0 pt -85.3 -6.14 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.068 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -55.36 -45.6 76.48 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.67 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.514 ' CD2' HH21 ' A' ' 22' ' ' ARG . 22.2 m170 -56.48 -37.49 70.41 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.234 0.54 . . . . 0.0 110.881 -179.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.56 -40.94 84.92 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.004 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.3 mt -59.7 -48.71 80.61 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.936 -178.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.514 HH21 ' CD2' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -62.2 -38.42 89.07 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.359 179.591 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 99.5 m -62.8 -44.06 97.16 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.212 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' A' ' 28' ' ' ASP . . . -67.44 -41.8 84.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.548 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -52.59 -45.23 66.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.322 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -74.13 -47.39 36.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.046 0.45 . . . . 0.0 110.463 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.54 ' O ' ' N ' ' A' ' 31' ' ' ASP . 11.5 m80 -65.87 -21.86 66.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.579 -179.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 24' ' ' ALA . 5.9 t0 -56.77 -35.35 68.56 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.764 -0.375 . . . . 0.0 110.185 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.5 tptm -76.6 -36.3 57.59 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.937 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -90.21 -63.97 1.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.892 -179.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.54 ' N ' ' O ' ' A' ' 27' ' ' HIS . 37.5 m-20 -110.81 94.22 19.39 Favored Pre-proline 0 CA--C 1.537 0.443 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -69.15 -31.23 23.7 Favored 'Trans proline' 0 N--CA 1.494 1.518 0 C-N-CA 122.373 2.048 . . . . 0.0 111.875 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 94.3 t -62.65 -45.71 98.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.133 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.494 ' O ' ' SG ' ' A' ' 38' ' ' CYS . 65.3 t -67.86 -44.63 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.376 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.77 -35.88 77.53 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.287 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -63.02 -53.82 47.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.128 0.49 . . . . 0.0 110.624 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -65.19 -36.22 83.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.576 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.494 ' SG ' ' O ' ' A' ' 34' ' ' VAL . 95.1 m -57.52 -44.83 85.38 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.114 -179.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.8 mmt85 -64.17 -40.49 96.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.144 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 64.0 tp -56.82 -46.55 81.59 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.521 -179.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.447 ' O ' ' OG1' ' A' ' 45' ' ' THR . 16.2 t80 -59.12 -42.76 91.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.112 0.482 . . . . 0.0 110.071 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' A' ' 46' ' ' GLY . . . -63.68 -50.65 68.38 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.444 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 19.8 ttp -51.45 -65.99 0.46 Allowed 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 121.07 0.462 . . . . 0.0 111.408 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -51.59 -39.78 58.58 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.519 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.447 ' OG1' ' O ' ' A' ' 41' ' ' TYR . 40.5 m -70.74 -39.72 73.14 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.682 179.379 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -54.64 -62.34 6.33 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 111.471 -0.652 . . . . 0.0 111.471 -178.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.437 ' O ' ' O ' ' A' ' 50' ' ' ASP . 14.7 ptp -59.39 -38.67 81.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.092 0.472 . . . . 0.0 111.055 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.408 ' N ' ' CG ' ' A' ' 47' ' ' MET . 11.4 ttpt -59.93 -42.21 93.48 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.55 -178.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 71.4 mt -64.25 -46.58 92.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.18 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.505 ' OD1' ' O ' ' A' ' 46' ' ' GLY . 9.1 p-10 -98.18 -173.34 2.56 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 120.839 0.352 . . . . 0.0 110.433 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.441 ' O ' ' OG ' ' A' ' 51' ' ' SER . 6.5 t -136.2 55.15 1.86 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.413 -179.257 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.2 mttp 65.26 117.66 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.029 0.442 . . . . 0.0 110.505 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.496 ' O ' ' SG ' ' A' ' 56' ' ' CYS . 3.6 t -159.15 145.32 12.3 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.932 178.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -41.64 -54.99 2.5 Favored 'Trans proline' 0 C--N 1.313 -1.301 0 C-N-CA 122.242 1.961 . . . . 0.0 112.504 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -48.45 -61.88 1.78 Allowed 'General case' 0 C--O 1.241 0.644 0 CA-C-O 121.43 0.634 . . . . 0.0 110.532 -179.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.572 ' SG ' ' N ' ' A' ' 57' ' ' ARG . 8.3 p -57.66 -43.91 85.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.526 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.572 ' N ' ' SG ' ' A' ' 56' ' ' CYS . 52.8 ttt180 -44.06 -41.67 5.67 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.643 -179.576 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.603 ' HZ3' ' CB ' ' A' ' 58' ' ' LYS . 0.4 OUTLIER -69.65 -60.43 2.32 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.302 0.573 . . . . 0.0 111.016 -179.415 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -62.67 -47.36 84.03 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.299 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 56' ' ' CYS . 6.8 tp -56.51 -47.45 79.32 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.775 -178.093 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.9 t -56.95 -40.69 76.91 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.1 mmtt -63.15 -42.27 99.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.404 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 42.8 tp -60.39 -44.94 95.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.13 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 26.5 ttt -65.87 -39.97 91.19 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.195 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -56.74 -45.77 81.76 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.394 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -62.06 -44.81 95.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.426 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 mt -54.36 -51.81 63.6 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.779 -179.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -58.14 -49.85 75.56 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.135 0.493 . . . . 0.0 110.504 -179.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.59 -40.89 88.92 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.683 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.21 -41.24 92.62 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.077 -178.04 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -62.62 -40.07 95.8 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.993 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -59.91 -39.13 84.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.356 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -63.99 -50.98 66.43 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.22 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 60.8 mt -69.07 -31.43 70.18 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.719 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.14 -84.22 1.16 Allowed Glycine 0 N--CA 1.452 -0.298 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.56 ' C ' ' HG1' ' A' ' 81' ' ' THR . 34.4 m-20 -113.65 -65.99 1.13 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.959 0.409 . . . . 0.0 111.015 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.463 ' O ' ' O ' ' A' ' 76' ' ' ASP . 23.6 t-20 47.5 103.59 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.853 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -43.52 -45.26 6.44 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.74 -178.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.02 -28.62 53.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.496 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.454 ' N ' ' O ' ' A' ' 77' ' ' ASN . 46.7 mm -98.82 -49.43 11.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.722 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.56 ' HG1' ' C ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -61.94 -39.45 92.12 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.733 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -122.24 114.52 20.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.078 0.466 . . . . 0.0 110.714 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -62.05 -25.1 67.48 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.628 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 31.1 mm -48.67 -57.21 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.234 0.54 . . . . 0.0 110.492 -178.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.7 p -75.82 -32.58 24.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.273 -0.422 . . . . 0.0 109.979 179.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.653 ' O ' ' ND1' ' A' ' 89' ' ' HIS . . . -59.02 -41.42 96.44 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.183 -1.167 . . . . 0.0 110.183 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 7.8 t -70.86 -48.9 51.4 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 122.399 -0.471 . . . . 0.0 110.046 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.55 ' O ' ' ND2' ' A' ' 92' ' ' ASN . . . -50.09 -52.55 33.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.056 -179.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.653 ' ND1' ' O ' ' A' ' 86' ' ' GLY . 1.4 p-80 -59.79 -44.81 93.77 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.088 0.471 . . . . 0.0 110.646 -179.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.542 ' N ' ' CG ' ' A' ' 89' ' ' HIS . 1.0 OUTLIER -58.3 -42.23 86.18 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.853 -178.81 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -61.6 -44.2 97.45 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.694 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.55 ' ND2' ' O ' ' A' ' 88' ' ' ALA . 1.6 m-80 -63.92 -41.9 97.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.011 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -60.26 -49.18 78.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.694 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.38 -41.74 88.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.1 tp -59.62 -45.51 91.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.091 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -62.76 -40.83 98.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.047 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 13.8 tpp -64.07 -53.19 53.73 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.397 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -59.64 -49.39 77.92 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.491 -179.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.452 ' O ' ' ND2' ' A' ' 103' ' ' ASN . 2.7 mm? -60.35 -40.38 90.5 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.82 -179.302 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.585 ' CE2' ' OE1' ' A' ' 104' ' ' GLU . 89.6 t80 -53.89 -46.98 71.53 Favored 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.265 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.91 -48.36 63.51 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.064 0.459 . . . . 0.0 111.077 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.71 -39.04 73.16 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.366 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 99' ' ' LEU . 88.2 m-20 -62.22 -48.49 79.75 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.098 0.475 . . . . 0.0 110.706 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.585 ' OE1' ' CE2' ' A' ' 100' ' ' TYR . 18.0 mt-10 -68.31 -31.21 70.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.549 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -64.89 -42.15 95.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.661 -179.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -42.31 99.45 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.228 -179.595 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.04 -5.34 4.5 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.362 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 78.26 33.41 40.04 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 43.5 ttm-85 -105.19 106.09 16.43 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.568 ' CZ ' ' O ' ' A' ' 162' ' ' PRO . 14.4 m-85 -107.45 138.15 44.18 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.577 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.454 ' CG ' ' O ' ' A' ' 110' ' ' PHE . 23.9 m-70 -165.87 163.05 18.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.693 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -59.01 -35.26 72.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.012 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.54 ' OD1' ' CD1' ' B' ' 182' ' ' TYR . 40.0 t-20 -58.56 -38.76 78.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.925 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.424 ' O ' ' OG ' ' A' ' 117' ' ' SER . 33.9 mmm -67.63 -38.86 84.48 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 97.9 mt -58.49 -48.07 86.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.203 0.525 . . . . 0.0 110.483 -178.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -70.5 -28.45 64.97 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.18 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.614 ' HG ' ' N ' ' A' ' 118' ' ' PHE . 11.8 p -58.64 -44.15 89.95 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.614 ' N ' ' HG ' ' A' ' 117' ' ' SER . 64.6 m-85 -68.93 -45.21 71.38 Favored 'General case' 0 C--O 1.227 -0.104 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.248 179.2 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -59.91 -55.43 34.16 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.808 0.814 . . . . 0.0 109.786 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 11.3 m -58.72 -45.21 90.09 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.229 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -52.53 -38.36 59.56 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.408 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.2 p -63.08 -38.69 92.19 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.3 0.572 . . . . 0.0 109.598 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 49.9 mt -61.31 -42.26 98.37 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.484 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.55 -44.06 97.27 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.4 0.619 . . . . 0.0 111.164 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.1 mt -56.8 -42.4 77.6 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.095 0 C-N-CA 120.138 -0.625 . . . . 0.0 109.6 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.541 ' O ' ' OG1' ' A' ' 129' ' ' THR . 5.8 m-20 -61.05 -40.49 93.83 Favored 'General case' 0 C--O 1.248 1.018 0 CA-C-O 122.479 1.133 . . . . 0.0 109.778 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.415 ' O ' ' CG2' ' A' ' 130' ' ' VAL . 94.5 t -57.64 -33.23 44.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.125 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 59.8 mt -73.38 -42.81 56.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.226 0.536 . . . . 0.0 110.886 178.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.541 ' OG1' ' O ' ' A' ' 126' ' ' ASP . 68.6 p -49.45 -33.94 15.44 Favored 'General case' 0 CA--C 1.51 -0.595 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.411 -177.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.415 ' CG2' ' O ' ' A' ' 127' ' ' VAL . 10.9 m -41.67 -36.13 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.011 179.292 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -64.89 -44.17 90.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.623 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 100.26 -17.26 57.19 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -91.87 60.44 3.89 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 40.0 tp -111.05 137.31 48.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.528 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 22.2 p -82.13 154.55 25.47 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-O 121.353 0.597 . . . . 0.0 110.541 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -58.59 -34.16 70.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.466 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -52.11 -44.54 64.49 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.628 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -64.79 -37.85 89.0 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.824 0.345 . . . . 0.0 110.413 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 57.8 t -58.82 -43.87 89.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.166 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -64.18 -41.54 97.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.418 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 21.7 m80 -57.1 -43.11 81.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.953 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 10.8 ttm180 -60.71 -46.28 91.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.957 0.408 . . . . 0.0 110.043 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -62.64 -37.72 87.46 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.174 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -69.14 -47.55 64.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.341 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -56.17 -36.0 67.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.843 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 50.8 ttt180 -66.07 -48.13 72.03 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.025 0.44 . . . . 0.0 110.595 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 27.1 t90 -58.56 -44.61 89.77 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.309 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 20.9 mttm -63.4 -39.06 93.48 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.695 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -54.1 -51.78 63.08 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.712 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 9.8 p -72.24 -37.99 69.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.24 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -54.69 -49.14 71.39 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.796 -179.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . 0.405 HD13 HG23 ' A' ' 152' ' ' ILE . 96.1 mt -66.64 -43.46 90.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.978 0.418 . . . . 0.0 110.737 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -57.14 -47.21 81.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.031 0.443 . . . . 0.0 110.627 -179.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' ASN . . . . . 0.529 ' ND2' ' OE1' ' B' ' 166' ' ' GLU . 88.2 m-20 -63.87 -39.44 94.21 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.267 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 93.5 m -63.64 -39.3 94.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.356 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.18 -45.82 91.68 Favored 'General case' 0 N--CA 1.441 -0.875 0 CA-C-O 121.399 0.618 . . . . 0.0 111.011 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -65.38 -32.58 74.29 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.95 -178.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' ASN . . . . . 0.427 ' OD1' ' O ' ' A' ' 154' ' ' ASN . 23.9 m120 -77.46 -19.41 56.01 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.859 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 81.83 37.84 15.32 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.497 -1.041 . . . . 0.0 110.497 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -127.8 128.35 45.12 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 120.847 0.355 . . . . 0.0 110.892 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 5.6 t -68.83 116.95 46.35 Favored Pre-proline 0 CA--C 1.539 0.534 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.903 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' PRO . . . . . 0.568 ' O ' ' CZ ' ' A' ' 110' ' ' PHE . 54.4 Cg_exo -48.6 138.26 25.2 Favored 'Trans proline' 0 N--CA 1.496 1.668 0 C-N-CA 122.227 1.951 . . . . 0.0 112.24 -179.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 . . . . . 0 N--CA 1.464 0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.246 179.967 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.106 0 N-CA-C 110.462 -1.055 . . . . 0.0 110.462 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 30.6 p -93.66 132.12 30.71 Favored Pre-proline 0 CA--C 1.538 0.489 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.672 -179.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -73.45 -159.67 0.09 OUTLIER 'Trans proline' 0 N--CA 1.496 1.638 0 C-N-CA 122.436 2.091 . . . . 0.0 111.879 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 157' ' ' GLU . . . . . 0.412 ' O ' ' CG ' ' B' ' 157' ' ' GLU . 5.7 pt-20 -97.15 104.41 16.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.037 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.93 140.68 52.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.993 0.425 . . . . 0.0 110.652 -179.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.82 142.61 36.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.946 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 160' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -65.37 -34.91 79.43 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.76 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 161' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -65.14 -54.93 22.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.863 0.363 . . . . 0.0 110.998 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 162' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -62.25 -39.58 93.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.994 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 49.3 tp -57.56 -47.79 81.12 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.417 -178.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -65.61 -32.38 73.92 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.419 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 165' ' ' ALA . . . . . . . . . . . . . . . -58.9 -49.38 78.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.668 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 166' ' ' GLU . . . . . 0.529 ' OE1' ' ND2' ' A' ' 154' ' ' ASN . 0.8 OUTLIER -63.19 -44.92 94.05 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.62 -179.166 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.33 -55.9 26.22 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.853 -178.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 168' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.79 -43.96 63.25 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.678 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -64.29 -52.44 58.54 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.258 0.551 . . . . 0.0 110.286 179.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 3.4 tt -54.67 -44.47 73.33 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.474 -0.49 . . . . 0.0 110.121 -179.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -56.3 -45.38 88.66 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.667 -0.973 . . . . 0.0 110.667 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 172' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -56.86 -43.89 81.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.297 0.57 . . . . 0.0 109.555 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -58.44 -55.76 30.85 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.2 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 94.1 mt -59.15 -39.04 81.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.097 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 175' ' ' LEU . . . . . 0.406 ' CD2' ' C ' ' B' ' 175' ' ' LEU . 7.7 tt -51.33 -41.37 60.52 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.656 -0.418 . . . . 0.0 109.885 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.037 -0.528 . . . . 0.0 109.998 179.311 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 182' ' ' TYR . . . . . 0.54 ' CD1' ' OD1' ' A' ' 113' ' ' ASN . 0.1 OUTLIER . . . . . 0 CA--C 1.536 0.405 0 CA-C-O 121.434 0.635 . . . . 0.0 110.304 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 183' ' ' LEU . . . . . 0.504 ' N ' ' CG ' ' B' ' 182' ' ' TYR . 1.1 pp -67.23 -35.78 80.28 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.324 -179.329 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 184' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -66.72 -36.51 82.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.786 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -67.06 -43.64 82.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.515 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 186' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.525 -179.954 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 30.7 mt . . . . . 0 N--CA 1.467 0.412 0 CA-C-O 121.159 0.504 . . . . 0.0 110.679 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.34 153.76 13.04 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.423 -179.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -68.71 148.89 72.65 Favored 'Trans proline' 0 N--CA 1.494 1.551 0 C-N-CA 122.734 2.289 . . . . 0.0 111.938 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 52.4 mt -85.03 145.31 43.07 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.904 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -68.1 166.48 24.81 Favored 'Trans proline' 0 N--CA 1.494 1.543 0 C-N-CA 122.593 2.196 . . . . 0.0 112.281 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -40.69 144.89 0.42 Allowed 'Trans proline' 0 C--N 1.311 -1.426 0 C-N-CA 122.621 2.214 . . . . 0.0 111.62 179.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 tt -106.35 104.68 51.4 Favored Pre-proline 0 CA--C 1.54 0.574 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.731 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -50.79 153.52 8.18 Favored 'Trans proline' 0 N--CA 1.497 1.68 0 C-N-CA 122.467 2.111 . . . . 0.0 112.462 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.31 -23.61 67.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.613 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -56.17 -25.46 46.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.658 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -113.75 26.95 9.92 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.402 0.62 . . . . 0.0 110.781 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -66.01 -23.78 66.63 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.713 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.9 p -73.77 -52.93 11.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.153 0.501 . . . . 0.0 111.34 -179.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -72.21 -12.5 15.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.414 -179.449 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -50.29 -37.15 34.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.875 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.7 m170 -59.62 -40.68 88.38 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -64.11 -42.52 96.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.565 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.71 -40.17 96.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.967 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.23 -48.41 81.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.228 0.537 . . . . 0.0 110.422 -178.615 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 28.3 m -63.03 -43.17 99.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.318 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.69 -49.41 77.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.877 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -54.87 -46.1 74.67 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.737 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.0 tp10 -68.09 -52.03 39.76 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.673 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.494 ' O ' ' N ' ' A' ' 31' ' ' ASP . 0.3 OUTLIER -61.05 -26.48 67.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.573 -179.601 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -49.97 -38.45 36.93 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.125 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -77.49 -34.09 54.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.826 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.8 mmp_? -86.75 -65.44 1.01 Allowed 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.085 -178.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.494 ' N ' ' O ' ' A' ' 27' ' ' HIS . 38.3 m-20 -124.13 107.95 30.15 Favored Pre-proline 0 CA--C 1.54 0.585 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.862 -179.588 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.39 -22.55 21.51 Favored 'Trans proline' 0 N--CA 1.492 1.411 0 C-N-CA 121.979 1.786 . . . . 0.0 111.879 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 79.7 t -62.33 -51.78 68.15 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.03 -178.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.1 p -71.93 -39.75 67.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.389 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.1 -42.53 98.7 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.385 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -61.78 -48.69 79.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.778 0.323 . . . . 0.0 110.513 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -63.89 -39.76 94.93 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.567 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 93.6 m -60.85 -44.22 97.28 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.847 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.527 HH22 ' CB ' ' A' ' 70' ' ' LEU . 44.2 mtm180 -60.38 -43.81 96.23 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.005 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 tt -58.6 -43.53 89.58 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.472 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.446 ' O ' ' OG1' ' A' ' 45' ' ' THR . 7.0 t80 -54.89 -45.88 74.72 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 121.333 0.587 . . . . 0.0 109.938 179.357 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.13 -49.38 77.47 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.632 -179.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 32.3 ttp -50.67 -58.15 6.56 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 120.852 0.358 . . . . 0.0 110.957 -178.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -60.16 -35.86 76.27 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.699 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' A' ' 41' ' ' TYR . 18.4 m -71.3 -41.53 69.83 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.933 0.397 . . . . 0.0 110.616 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -62.05 -46.72 93.45 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.854 -0.498 . . . . 0.0 111.854 -178.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.453 ' O ' ' O ' ' A' ' 50' ' ' ASP . 10.6 ptt? -65.6 -35.92 82.23 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -66.7 -41.59 87.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.853 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 70.6 mt -62.33 -44.89 99.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.994 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.453 ' O ' ' O ' ' A' ' 47' ' ' MET . 7.9 m-20 -110.06 -168.1 1.28 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.973 0.416 . . . . 0.0 110.275 -179.446 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.1 t -151.23 4.52 0.45 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.051 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.55 ' O ' ' O ' ' A' ' 53' ' ' THR . 10.6 mttm 179.73 -97.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.797 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.55 ' O ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER 52.28 142.47 0.03 OUTLIER Pre-proline 0 CA--C 1.543 0.706 0 O-C-N 123.939 0.774 . . . . 0.0 110.704 -178.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -70.49 -51.21 0.34 Allowed 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 121.944 1.763 . . . . 0.0 111.78 179.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -65.08 -31.94 73.41 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.517 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 30.7 t -72.29 -67.21 0.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.05 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 20.2 ptp180 -41.11 -42.17 1.93 Allowed 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.726 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.97 -43.26 93.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.056 0.455 . . . . 0.0 110.655 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -61.64 -44.56 96.76 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.285 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.9 mp -62.14 -42.53 99.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.68 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 34.5 t -55.56 -48.14 75.25 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.716 -0.393 . . . . 0.0 110.366 -179.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.3 mmtt -66.78 -41.43 87.67 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 36.2 tp -61.2 -41.94 97.71 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.157 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 19.9 ttm -66.0 -39.79 90.6 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.423 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -58.18 -44.46 88.03 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.059 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.472 ' C ' HH12 ' A' ' 39' ' ' ARG . 72.6 mt-30 -62.45 -44.0 97.47 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.432 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.0 mt -57.54 -46.76 83.5 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.8 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -66.48 -43.18 86.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.168 0.508 . . . . 0.0 110.501 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.46 -38.78 92.44 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.101 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.527 ' CB ' HH22 ' A' ' 39' ' ' ARG . 0.2 OUTLIER -61.67 -43.27 99.17 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.073 -178.586 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.487 ' NZ ' ' O ' ' A' ' 75' ' ' GLY . 26.9 tptp -63.43 -37.88 88.99 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.855 179.561 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.7 tptt -59.7 -44.61 93.59 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.479 -178.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -63.16 -47.77 81.28 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.731 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.2 mt -69.66 -30.44 68.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.443 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.487 ' O ' ' NZ ' ' A' ' 71' ' ' LYS . . . 74.93 -84.86 0.79 Allowed Glycine 0 C--O 1.229 -0.185 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -145.5 80.64 1.6 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 61.1 t-20 -90.01 126.8 35.89 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.403 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -46.85 -37.99 9.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.286 -179.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.2 -36.73 82.83 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.45 -178.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 12.3 mm -94.14 -43.77 13.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.034 -179.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 36.3 p -62.59 -54.0 46.26 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.122 -178.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -100.44 106.93 18.55 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.266 0.555 . . . . 0.0 110.949 -178.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.92 -26.03 33.33 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.037 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 42.6 mm -49.53 -55.76 4.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.571 -177.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.8 p -73.13 -35.92 48.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.484 178.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.39 -46.8 93.31 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 -179.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.5 t -63.73 -50.97 67.03 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 179.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.81 -36.91 75.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.434 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 69.4 t60 -58.84 -45.5 89.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.352 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -63.74 -44.41 93.59 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.099 -179.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.529 ' OE1' ' N ' ' A' ' 91' ' ' GLU . 0.4 OUTLIER -62.38 -42.56 99.51 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.58 -178.7 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -61.42 -42.65 99.08 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.276 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -61.66 -47.67 84.31 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.133 0.492 . . . . 0.0 110.689 -179.497 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.28 -48.79 80.22 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.907 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.1 tp -60.87 -42.53 98.08 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.696 -179.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 45.7 tptt -60.15 -49.25 78.36 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.627 0.727 . . . . 0.0 111.66 -178.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.441 ' SD ' ' CD1' ' A' ' 124' ' ' LEU . 5.6 ptm -77.11 -35.31 56.46 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.305 -178.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -63.62 -53.35 52.92 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 120.477 -0.489 . . . . 0.0 109.891 -178.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.74 -40.44 88.08 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.77 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -51.32 -46.95 62.75 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 119.782 -0.767 . . . . 0.0 110.354 179.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.31 -44.9 78.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.399 0.618 . . . . 0.0 111.009 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -61.9 -37.55 85.05 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.324 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 22.6 t30 -63.14 -43.73 97.54 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.472 179.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -70.53 -31.09 68.02 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.381 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -60.78 -51.82 67.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.267 -179.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.3 ptt-85 -68.78 -35.94 77.67 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.114 0.483 . . . . 0.0 110.45 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.33 -10.67 17.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.127 -178.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 82.59 22.84 57.63 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.509 ' O ' ' SD ' ' A' ' 114' ' ' MET . 2.0 mmt85 -97.82 101.2 12.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.726 0.298 . . . . 0.0 110.612 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -101.62 133.79 45.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.874 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -168.36 151.93 5.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.292 179.392 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 57.7 pttt -50.94 -21.08 1.56 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.387 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -64.22 -39.44 93.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.494 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.509 ' SD ' ' O ' ' A' ' 109' ' ' ARG . 3.0 mtm -61.77 -40.98 97.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.687 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.37 -49.13 85.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.06 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 9.3 tttm -65.52 -29.5 70.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.648 -179.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.41 ' OG ' ' N ' ' A' ' 118' ' ' PHE . 10.6 p -61.71 -52.18 65.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.773 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.41 ' N ' ' OG ' ' A' ' 117' ' ' SER . 61.3 m-85 -64.26 -38.62 91.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.597 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.418 ' O ' ' OG ' ' A' ' 122' ' ' SER . 26.6 t80 -57.69 -55.85 29.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.058 0.456 . . . . 0.0 110.499 -179.26 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 11.9 m -58.25 -40.88 82.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.963 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -57.37 -40.85 78.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.233 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.418 ' OG ' ' O ' ' A' ' 119' ' ' TYR . 49.7 p -61.37 -42.31 98.49 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-O 121.667 0.746 . . . . 0.0 110.719 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 95.5 mt -62.36 -42.51 99.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.447 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.441 ' CD1' ' SD ' ' A' ' 97' ' ' MET . 15.0 mt -61.11 -38.54 86.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.423 0.63 . . . . 0.0 110.462 -179.727 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 89.8 mt -59.01 -42.58 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.492 ' O ' ' OG1' ' A' ' 129' ' ' THR . 37.0 t0 -57.97 -41.81 83.74 Favored 'General case' 0 C--O 1.249 1.045 0 CA-C-O 122.109 0.956 . . . . 0.0 110.506 179.127 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 14.0 t -57.98 -34.3 48.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.671 179.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 89.9 mt -70.34 -43.79 78.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.907 178.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.492 ' OG1' ' O ' ' A' ' 126' ' ' ASP . 67.4 p -51.33 -39.78 57.68 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.806 -176.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.41 ' N ' ' HG1' ' A' ' 129' ' ' THR . 3.5 m -40.73 -28.18 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 C-N-CA 120.036 -0.666 . . . . 0.0 111.104 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.423 ' N ' ' O ' ' A' ' 129' ' ' THR . 35.3 m-85 -71.35 -44.3 65.3 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.837 179.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 129' ' ' THR . . . 104.35 34.45 3.63 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -121.42 59.52 0.96 Allowed 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 120.922 0.391 . . . . 0.0 110.702 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -81.78 88.8 6.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.391 -178.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' THR . . . . . 0.687 ' N ' HD21 ' A' ' 138' ' ' ASN . 7.6 p -83.49 146.16 28.53 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.051 179.042 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -42.05 -41.8 2.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.671 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -54.22 -56.66 16.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.642 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . 0.687 HD21 ' N ' ' A' ' 135' ' ' THR . 1.2 p30 -54.19 -45.05 72.08 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.081 0.467 . . . . 0.0 110.324 -179.275 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . 0.425 ' N ' ' CG ' ' A' ' 138' ' ' ASN . 61.7 t -61.73 -45.98 97.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.832 -178.039 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 4.7 ttmm -60.66 -45.38 94.35 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.454 0.645 . . . . 0.0 110.564 -178.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 34.6 m170 -64.33 -42.09 96.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.132 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -57.75 -42.69 84.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.392 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -62.32 -39.49 93.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -70.39 -42.76 71.28 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.516 -0.474 . . . . 0.0 111.578 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -55.9 -46.77 78.29 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.853 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 60.1 mtp85 -65.59 -45.23 84.03 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.974 -0.29 . . . . 0.0 111.633 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 18.1 t90 -61.39 -49.23 77.75 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.938 0.399 . . . . 0.0 111.085 -178.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -61.5 -39.91 92.66 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.807 -178.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -60.23 -48.12 83.07 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 37.3 p -73.8 -43.07 59.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.175 -179.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -52.4 -53.18 48.44 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.78 0.324 . . . . 0.0 110.838 -178.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 84.1 mt -65.58 -42.68 93.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.903 0.382 . . . . 0.0 110.521 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' HIS . . . . . 0.408 ' NE2' ' CE ' ' A' ' 157' ' ' LYS . 73.3 t60 -50.84 -52.57 40.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.051 -178.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -64.6 -37.25 86.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.455 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.14 -40.23 80.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.109 0.481 . . . . 0.0 110.833 -179.272 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.48 ' HG ' ' N ' ' A' ' 157' ' ' LYS . 0.1 OUTLIER -71.15 -42.09 69.6 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.279 0.561 . . . . 0.0 110.687 -179.564 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.48 ' N ' ' HG ' ' A' ' 156' ' ' LEU . 46.4 mttm -62.23 -34.34 76.31 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.628 -177.021 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -86.38 -14.44 43.42 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.77 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 83.57 14.17 74.11 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 110.655 -0.978 . . . . 0.0 110.655 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -82.18 142.75 31.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.717 0.294 . . . . 0.0 110.574 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 54.2 m -81.51 127.79 71.97 Favored Pre-proline 0 CA--C 1.539 0.548 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.547 -179.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -73.07 157.72 50.45 Favored 'Trans proline' 0 N--CA 1.497 1.717 0 C-N-CA 122.394 2.063 . . . . 0.0 112.068 179.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 . . . . . 0 C--N 1.332 -0.181 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.223 179.509 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.37 0 N-CA-C 110.556 -1.017 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 3.1 p -106.82 130.22 23.22 Favored Pre-proline 0 CA--C 1.54 0.59 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.018 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -73.86 -155.36 0.04 OUTLIER 'Trans proline' 0 N--CA 1.497 1.689 0 C-N-CA 122.461 2.107 . . . . 0.0 111.644 179.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 157' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -91.39 101.85 14.53 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.98 0.419 . . . . 0.0 110.09 179.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 158' ' ' LEU . . . . . 0.544 ' CD2' ' N ' ' B' ' 158' ' ' LEU . 3.2 mm? -96.14 127.01 41.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.217 0.532 . . . . 0.0 110.483 -179.334 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -77.13 114.47 15.97 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.937 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 160' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -44.08 -41.02 5.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.832 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 161' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -63.99 -50.01 70.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.984 0.421 . . . . 0.0 110.497 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 162' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -63.75 -49.18 74.03 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.462 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.13 -46.05 22.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.177 0.513 . . . . 0.0 110.532 -179.478 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.6 -36.99 83.95 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 165' ' ' ALA . . . . . . . . . . . . . . . -59.11 -45.76 90.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.715 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.74 -42.28 74.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.927 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.7 -56.14 25.59 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.389 -178.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 168' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -53.06 -48.8 67.39 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.221 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -60.6 -48.42 81.87 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.059 0.457 . . . . 0.0 110.269 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 7.6 tt -57.37 -43.36 83.49 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.356 -178.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -58.66 -43.44 96.27 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 172' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -58.58 -40.59 83.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.825 0.345 . . . . 0.0 110.45 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -61.46 -52.8 63.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.945 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 10.9 mp -63.58 -37.99 89.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.02 0.438 . . . . 0.0 110.493 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.48 -42.29 87.71 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 120.265 -0.574 . . . . 0.0 110.554 -179.529 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.707 0 C-N-CA 120.559 -0.457 . . . . 0.0 111.152 -179.78 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 182' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.26 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 183' ' ' LEU . . . . . . . . . . . . . 8.5 tp -56.82 -51.31 69.47 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.713 -176.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 184' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -68.64 -30.95 69.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.726 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -60.24 -58.15 9.75 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.646 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 186' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.325 -179.921 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.0 mtm . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -156.82 159.77 38.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.557 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -98.08 122.54 41.34 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.418 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 27.3 mt -84.02 155.4 22.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.842 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.54 151.84 76.36 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.728 -179.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -68.91 154.75 70.37 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.661 2.241 . . . . 0.0 111.938 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.09 151.11 69.66 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.063 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -60.34 166.64 9.03 Favored 'Trans proline' 0 N--CA 1.495 1.594 0 C-N-CA 122.49 2.127 . . . . 0.0 112.115 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -38.08 131.81 0.88 Allowed 'Trans proline' 0 C--N 1.311 -1.437 0 C-N-CA 122.654 2.236 . . . . 0.0 111.312 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.8 tp -97.23 112.12 60.01 Favored Pre-proline 0 CA--C 1.541 0.632 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.975 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_exo -54.71 163.57 3.83 Favored 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 122.581 2.187 . . . . 0.0 112.14 177.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.89 -23.88 65.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.043 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -60.12 -11.36 5.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.752 -179.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -122.46 28.33 7.44 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 121.195 0.522 . . . . 0.0 110.65 -179.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.2 pttt -63.09 -31.1 72.16 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.65 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.7 m -63.93 -44.79 91.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.775 0.321 . . . . 0.0 111.657 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.6 pt -87.18 -9.9 11.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.964 -179.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -49.82 -48.72 50.66 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.954 -179.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -65.11 -40.59 94.75 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.036 0.446 . . . . 0.0 110.852 -178.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -57.58 -42.49 83.24 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.327 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 59.0 mt -63.08 -44.53 95.5 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.532 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -62.34 -38.53 89.84 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.27 0.557 . . . . 0.0 110.586 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 90.0 m -60.91 -42.2 97.59 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.928 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.21 -39.64 94.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.509 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -55.15 -42.4 73.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.953 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -72.81 -48.97 33.42 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.427 0.632 . . . . 0.0 110.704 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.434 ' O ' ' O ' ' A' ' 31' ' ' ASP . 15.8 m80 -64.03 -25.3 68.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.187 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -53.34 -45.44 69.11 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.341 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -75.94 -48.61 20.54 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.85 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -63.08 -50.77 69.25 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.967 0.413 . . . . 0.0 110.783 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.434 ' O ' ' O ' ' A' ' 27' ' ' HIS . 5.6 m-20 -153.99 116.24 2.6 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.895 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -70.24 -19.89 33.26 Favored 'Trans proline' 0 C--N 1.313 -1.297 0 C-N-CA 122.141 1.894 . . . . 0.0 112.345 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 83.0 t -61.34 -50.84 78.79 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.927 -179.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 57.8 t -68.37 -43.12 84.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.012 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.88 -39.33 88.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.69 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.551 ' CD2' ' CD1' ' A' ' 80' ' ' ILE . 77.9 t80 -60.44 -53.95 51.47 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.232 0.539 . . . . 0.0 110.705 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -62.71 -34.37 77.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.095 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.5 m -60.27 -44.96 94.87 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.151 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -60.27 -38.76 84.57 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.7 tp -57.7 -44.79 86.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.981 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.54 ' CE1' ' OD1' ' A' ' 126' ' ' ASP . 65.0 t80 -57.68 -46.65 84.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.119 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.34 -52.7 63.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.809 -179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.8 ttp -57.51 -46.52 83.69 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.671 -179.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -63.47 -41.77 98.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.349 0.595 . . . . 0.0 110.718 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.0 m -72.08 -34.96 69.08 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.497 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -60.75 -49.13 81.96 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 111.769 -0.532 . . . . 0.0 111.769 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.59 ' SD ' ' N ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -68.99 -34.8 75.88 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-O 121.012 0.434 . . . . 0.0 110.022 179.681 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.59 ' N ' ' SD ' ' A' ' 47' ' ' MET . 88.7 tttt -62.35 -43.46 98.76 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.481 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.436 HD11 HG22 ' A' ' 49' ' ' ILE . 93.3 mt -67.33 -46.59 83.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.731 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.563 ' O ' ' O ' ' A' ' 47' ' ' MET . 4.8 p-10 -142.97 -148.75 0.24 Allowed 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.571 -178.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 50' ' ' ASP . 1.7 m 157.44 14.31 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.612 ' O ' ' O ' ' A' ' 53' ' ' THR . 60.4 tttt -125.85 -139.73 0.28 Allowed 'General case' 0 CA--C 1.515 -0.375 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.612 ' O ' ' O ' ' A' ' 52' ' ' LYS . 0.6 OUTLIER 38.61 113.43 0.0 OUTLIER Pre-proline 0 CA--C 1.541 0.613 0 O-C-N 124.415 1.072 . . . . 0.0 111.071 -179.722 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -40.52 -27.55 0.28 Allowed 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 121.588 1.525 . . . . 0.0 112.251 -179.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 53' ' ' THR . 44.4 mt-10 -67.43 -45.25 76.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.911 0.386 . . . . 0.0 110.19 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.56 ' SG ' ' OD2' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -71.45 -53.58 13.5 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.257 179.748 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -47.46 -46.84 27.19 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.359 -178.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm -66.58 -42.03 87.65 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.94 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -58.99 -46.47 88.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.756 -179.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.87 -41.45 99.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.269 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.498 ' HG ' ' N ' ' A' ' 62' ' ' LYS . 52.9 p -58.94 -44.28 91.35 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.363 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.498 ' N ' ' HG ' ' A' ' 61' ' ' SER . 28.5 tptp -65.19 -44.48 88.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.45 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 35.7 tp -61.81 -43.04 99.65 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.868 -178.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.7 ttt -61.59 -41.81 97.97 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.391 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -60.29 -41.31 93.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.654 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -63.52 -40.56 97.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.414 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.9 mt -62.13 -44.34 96.85 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.23 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -62.9 -46.48 87.6 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.68 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.67 -41.41 99.07 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.424 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.31 -46.63 89.51 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.414 -0.515 . . . . 0.0 110.581 -178.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -58.3 -42.53 86.84 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.143 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? -63.71 -42.18 97.99 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.953 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -54.2 -50.03 68.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.686 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 70.0 mt -67.3 -29.48 69.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.605 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.66 -85.76 1.42 Allowed Glycine 0 N--CA 1.452 -0.256 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.5 ' O ' ' O ' ' A' ' 77' ' ' ASN . 0.0 OUTLIER -115.7 -64.95 1.24 Allowed 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.813 0.34 . . . . 0.0 110.401 -178.775 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.5 ' O ' ' O ' ' A' ' 76' ' ' ASP . 44.4 t-20 50.58 113.63 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.451 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -51.25 -30.92 19.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.908 0.385 . . . . 0.0 110.295 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.414 ' N ' ' OD1' ' A' ' 77' ' ' ASN . . . -69.04 -32.19 71.52 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.131 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.551 ' CD1' ' CD2' ' A' ' 36' ' ' TYR . 7.7 mm -93.26 -49.22 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.013 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.41 -52.87 59.77 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.325 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -99.0 98.07 9.15 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.231 0.539 . . . . 0.0 110.313 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.576 ' CD ' ' H ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -59.91 -21.07 60.62 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.804 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 84.6 mt -58.53 -51.75 67.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.129 -179.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.0 m -74.29 -36.21 42.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.899 0.38 . . . . 0.0 110.497 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -61.34 -45.17 97.0 Favored Glycine 0 CA--C 1.52 0.357 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 3.0 t -64.75 -49.88 69.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.876 0.369 . . . . 0.0 110.418 179.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.09 -39.36 72.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.409 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -63.77 -43.67 95.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.742 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.2 mt -60.95 -41.74 96.91 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.379 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -61.24 -43.86 98.19 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.459 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -64.08 -41.27 97.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.766 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -60.01 -47.89 83.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.383 -179.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.37 -41.12 98.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.427 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 8.3 mt -61.79 -46.24 90.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.32 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -60.09 -43.88 95.21 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.601 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 24.3 tpp -63.94 -46.72 83.46 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.396 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.547 ' CE2' ' OD2' ' A' ' 102' ' ' ASP . 37.1 t80 -62.29 -52.72 62.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.303 -179.112 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.61 -40.85 72.64 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.109 -178.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -56.55 -47.4 79.55 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.005 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.45 -40.24 93.01 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 121.178 0.513 . . . . 0.0 110.392 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.547 ' OD2' ' CE2' ' A' ' 98' ' ' PHE . 85.8 m-20 -64.59 -38.51 91.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.341 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -60.37 -47.49 85.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.033 0.444 . . . . 0.0 110.185 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -72.26 -26.47 62.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.66 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -60.87 -52.25 65.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 48.8 ptt85 -72.91 -28.5 62.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.801 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.86 -14.09 50.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.368 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 81.23 32.71 30.85 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.553 ' O ' ' SD ' ' A' ' 114' ' ' MET . 28.6 ttm180 -125.18 106.01 9.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.628 0.252 . . . . 0.0 110.562 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.486 ' O ' ' CG ' ' A' ' 111' ' ' HIS . 24.3 m-85 -111.87 142.26 44.47 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.168 -179.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.486 ' CG ' ' O ' ' A' ' 110' ' ' PHE . 51.3 m-70 -163.29 171.0 16.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.266 0.555 . . . . 0.0 110.407 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.0 -34.17 76.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.616 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.461 ' OD1' ' N ' ' A' ' 114' ' ' MET . 5.0 p30 -57.8 -45.52 85.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.187 0.518 . . . . 0.0 110.395 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.553 ' SD ' ' O ' ' A' ' 109' ' ' ARG . 72.9 mtp -64.55 -38.07 89.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.697 179.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 96.5 mt -57.06 -42.19 78.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.538 ' NZ ' ' OG ' ' B' ' 180' ' ' SER . 38.5 ttmt -65.18 -37.73 88.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.29 178.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 42.2 m -58.83 -47.31 85.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.959 -178.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -63.09 -50.12 71.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 110.701 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.455 ' O ' ' OG ' ' A' ' 122' ' ' SER . 28.4 t80 -62.01 -49.35 76.39 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.378 0.608 . . . . 0.0 110.493 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 95.3 m -57.76 -41.68 82.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.762 -179.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -57.65 -37.45 73.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.223 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.629 ' HG ' ' N ' ' A' ' 123' ' ' LEU . 36.3 p -62.0 -41.24 97.84 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.131 0.491 . . . . 0.0 110.398 179.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.629 ' N ' ' HG ' ' A' ' 122' ' ' SER . 54.3 mt -61.53 -39.26 90.4 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.072 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -62.68 -41.93 99.36 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.599 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.431 HG23 HH21 ' A' ' 142' ' ' ARG . 96.8 mt -58.57 -41.96 83.41 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.084 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.54 ' OD1' ' CE1' ' A' ' 41' ' ' TYR . 18.7 t0 -58.87 -42.87 90.5 Favored 'General case' 0 C--O 1.254 1.341 0 CA-C-O 122.018 0.913 . . . . 0.0 110.26 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.471 ' O ' HG23 ' A' ' 130' ' ' VAL . 97.6 t -61.68 -25.94 38.3 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.653 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.294 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 96.7 mt -76.11 -40.7 37.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.462 0.649 . . . . 0.0 110.233 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.684 ' HG1' ' N ' ' A' ' 130' ' ' VAL . 18.0 p -58.01 -40.76 81.59 Favored 'General case' 0 CA--C 1.511 -0.534 0 O-C-N 121.789 -0.569 . . . . 0.0 111.378 -177.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.684 ' N ' ' HG1' ' A' ' 129' ' ' THR . 11.9 m -44.26 -29.0 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.839 -179.309 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -63.07 -29.4 70.78 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 120.885 0.374 . . . . 0.0 110.3 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 111.97 -15.16 26.13 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.459 ' O ' ' CB ' ' A' ' 134' ' ' LEU . 84.7 mt-10 -77.85 -127.5 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.814 0.34 . . . . 0.0 110.314 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.459 ' CB ' ' O ' ' A' ' 133' ' ' GLU . 0.4 OUTLIER 81.64 101.89 0.06 Allowed 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.553 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 11.7 p -94.87 168.04 11.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.832 179.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -54.63 -37.1 65.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.255 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -52.74 -50.98 62.35 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.095 0.474 . . . . 0.0 110.748 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -62.46 -38.04 88.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.192 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 94.1 t -59.98 -44.39 94.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.007 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -58.31 -41.81 85.32 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 6.3 m170 -64.09 -43.16 96.23 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.888 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . 0.431 HH21 HG23 ' A' ' 125' ' ' ILE . 27.0 ttm180 -57.57 -43.92 84.89 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.146 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 10.6 ttmm -62.87 -37.38 86.64 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.471 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -71.14 -42.73 68.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.603 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -61.45 -45.31 94.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.722 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 54.4 mtt-85 -64.31 -43.65 94.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.961 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 31.2 t90 -65.23 -46.81 79.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.579 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 9.4 ttmm -64.04 -34.4 77.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.824 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -63.13 -50.38 70.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.588 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 56.7 p -75.25 -41.24 57.86 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.183 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -51.81 -50.53 60.61 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.232 -178.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 84.1 mt -67.41 -44.01 87.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.727 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 46.8 t60 -63.71 -45.15 91.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.764 -178.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' ASN . . . . . 0.441 ' ND2' ' OE1' ' B' ' 166' ' ' GLU . 20.3 t-20 -62.87 -42.88 99.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.475 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 84.4 m -65.74 -33.86 76.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.21 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.92 -46.12 91.93 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 121.084 0.469 . . . . 0.0 110.096 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 31.7 mttm -64.36 -36.36 83.88 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.689 -178.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 73.0 m-80 -69.6 -18.87 63.65 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.668 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 83.96 46.26 6.01 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -129.04 141.83 51.1 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.958 0.408 . . . . 0.0 110.572 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' THR . . . . . 0.426 ' O ' ' CG2' ' A' ' 161' ' ' THR . 11.3 t -78.61 123.34 85.52 Favored Pre-proline 0 CA--C 1.541 0.601 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.751 -179.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_exo -46.62 166.6 0.07 OUTLIER 'Trans proline' 0 N--CA 1.495 1.575 0 C-N-CA 122.52 2.147 . . . . 0.0 112.358 179.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.202 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.34 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 -0.049 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -131.24 150.71 77.26 Favored Pre-proline 0 CA--C 1.536 0.411 0 C-N-CA 121.197 -0.201 . . . . 0.0 110.626 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -77.78 163.01 29.32 Favored 'Trans proline' 0 C--N 1.314 -1.275 0 C-N-CA 122.84 2.36 . . . . 0.0 111.956 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 157' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -61.4 126.41 27.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.125 0.488 . . . . 0.0 109.783 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 24.7 mt -109.52 138.62 45.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.506 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -84.16 114.17 21.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.05 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 160' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -57.71 -34.57 69.59 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.19 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 161' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -67.0 -62.69 1.31 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.316 0.579 . . . . 0.0 111.492 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 162' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' B' ' 162' ' ' ASP . 0.7 OUTLIER -62.21 -38.65 89.97 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.796 -179.47 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 15.9 tp -56.87 -43.31 81.09 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 123.427 0.454 . . . . 0.0 110.434 -178.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.06 -34.63 78.08 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.409 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 165' ' ' ALA . . . . . . . . . . . . . . . -61.1 -47.58 85.65 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.204 0.526 . . . . 0.0 111.288 -179.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 166' ' ' GLU . . . . . 0.441 ' OE1' ' ND2' ' A' ' 154' ' ' ASN . 0.0 OUTLIER -68.83 -39.2 80.12 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.115 -179.399 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.97 -53.76 53.3 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.117 -0.633 . . . . 0.0 110.14 -178.478 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 168' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -53.7 -44.65 69.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.075 -178.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -58.2 -47.78 82.41 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.781 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 10.4 tp -57.68 -46.29 84.48 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.384 -178.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -54.37 -42.81 75.52 Favored Glycine 0 CA--C 1.525 0.67 0 C-N-CA 120.461 -0.876 . . . . 0.0 111.102 -179.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 172' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.0 -47.13 86.18 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.071 0.462 . . . . 0.0 111.226 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -59.94 -51.68 68.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.58 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 9.0 mp -63.4 -34.27 77.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.274 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 4.9 tt -61.7 -32.1 72.28 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.699 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -59.46 -29.83 68.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.965 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 177' ' ' ASP . . . . . 0.465 ' OD2' ' OG ' ' B' ' 180' ' ' SER . 6.5 t70 -104.38 91.19 3.8 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.789 0.328 . . . . 0.0 110.751 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 178' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.18 -37.27 72.16 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.766 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 179' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -107.4 109.67 21.46 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.258 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 180' ' ' SER . . . . . 0.538 ' OG ' ' NZ ' ' A' ' 116' ' ' LYS . 4.0 m -129.35 120.98 26.51 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 64.8 m -57.59 -35.54 70.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.783 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 182' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -57.19 -37.37 72.06 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.505 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 183' ' ' LEU . . . . . . . . . . . . . 2.0 tt -60.38 -45.09 94.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.132 0.491 . . . . 0.0 109.962 -179.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 184' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -67.19 -27.11 66.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.832 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -63.89 -54.17 39.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.476 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 186' ' ' ALA . . . . . . . . . . . . . . . -71.69 -36.79 70.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.069 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 187' ' ' ALA . . . . . . . . . . . . . . . -55.26 -65.77 0.53 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.976 -179.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 188' ' ' SER . . . . . . . . . . . . . 16.2 m -73.37 -43.3 60.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.982 0.42 . . . . 0.0 110.646 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 189' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.564 -179.936 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.2 ptm . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.79 138.68 57.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.395 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -107.24 124.72 50.17 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.527 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.434 ' N ' ' CD1' ' A' ' 4' ' ' LEU . 10.1 mp -78.58 166.14 22.9 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.501 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.39 150.69 32.13 Favored Pre-proline 0 N--CA 1.445 -0.692 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.03 -178.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_exo -59.46 148.45 86.88 Favored 'Trans proline' 0 N--CA 1.501 1.954 0 C-N-CA 122.618 2.212 . . . . 0.0 112.647 178.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 19.4 mt -73.27 154.33 90.26 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.637 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -55.22 166.92 2.03 Favored 'Trans proline' 0 N--CA 1.493 1.494 0 C-N-CA 122.526 2.151 . . . . 0.0 112.283 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -40.54 125.65 2.04 Favored 'Trans proline' 0 C--N 1.312 -1.36 0 C-N-CA 122.445 2.097 . . . . 0.0 111.749 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.8 tt -93.33 113.76 60.97 Favored Pre-proline 0 CA--C 1.543 0.696 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.742 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -76.77 161.5 33.47 Favored 'Trans proline' 0 N--CA 1.494 1.517 0 C-N-CA 122.639 2.226 . . . . 0.0 112.304 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.74 -21.35 62.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.329 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -54.57 -42.06 70.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -101.88 43.01 1.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.677 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -82.75 -28.36 30.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.89 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 83.5 p -70.01 -12.71 61.81 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.624 -179.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.2 pt -114.04 -1.56 9.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.446 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -56.35 -41.01 75.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.709 -179.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.5 m80 -58.87 -36.98 75.52 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.581 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -67.9 -45.42 74.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.385 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 63.0 mt -62.2 -41.29 98.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.64 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -68.98 -45.19 71.27 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.944 0.402 . . . . 0.0 111.063 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.8 m -62.66 -43.29 99.19 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.67 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 28' ' ' ASP . . . -63.55 -47.89 79.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.087 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 72.3 mm-40 -53.53 -41.27 66.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 0.0 110.777 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -68.82 -55.57 10.76 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.255 0.55 . . . . 0.0 110.113 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.489 ' O ' ' N ' ' A' ' 31' ' ' ASP . 0.9 OUTLIER -66.59 -18.67 65.49 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.98 -179.18 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 24' ' ' ALA . 41.4 t0 -57.77 -35.87 71.36 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.115 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 52.3 tttm -70.68 -39.36 73.57 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.334 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -83.59 -58.25 2.89 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 27' ' ' HIS . 53.7 m-20 -121.55 101.39 43.36 Favored Pre-proline 0 CA--C 1.543 0.68 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.168 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -72.31 -25.25 18.75 Favored 'Trans proline' 0 N--CA 1.492 1.384 0 C-N-CA 122.182 1.921 . . . . 0.0 111.702 -179.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 62.2 t -64.3 -48.31 85.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.025 0.44 . . . . 0.0 110.656 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 97.3 t -64.71 -44.07 96.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.714 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.56 -36.7 83.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.524 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -58.89 -50.83 72.53 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.071 0.462 . . . . 0.0 110.014 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -68.86 -37.29 79.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.491 179.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 5.6 t -58.57 -48.39 81.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.478 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.46 -41.52 97.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.978 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 tp -57.64 -44.48 85.63 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.178 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -58.31 -43.68 88.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.219 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.15 -51.03 71.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.538 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 44.1 ttp -55.95 -45.85 78.73 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 121.084 0.469 . . . . 0.0 110.305 -178.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -63.27 -47.47 82.25 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.757 0.789 . . . . 0.0 110.917 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.8 m -68.46 -23.02 64.54 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.334 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -67.77 -48.37 55.85 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.463 ' HG3' ' N ' ' A' ' 48' ' ' LYS . 2.2 ptt? -65.17 -35.64 81.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.04 0.448 . . . . 0.0 110.216 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.463 ' N ' ' HG3' ' A' ' 47' ' ' MET . 51.0 mttp -65.31 -43.51 90.82 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.576 -179.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 79.0 mt -69.51 -48.24 67.54 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.137 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.431 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.482 ' OD2' ' SG ' ' A' ' 56' ' ' CYS . 0.3 OUTLIER -67.92 176.84 2.39 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 121.142 0.496 . . . . 0.0 110.04 -178.762 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.3 t -136.0 49.21 2.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.763 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 49.3 tttp 59.31 89.55 0.06 Allowed 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.436 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -143.6 150.86 52.27 Favored Pre-proline 0 CA--C 1.533 0.318 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.529 179.522 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -45.42 -43.46 17.43 Favored 'Trans proline' 0 C--N 1.313 -1.296 0 C-N-CA 122.254 1.97 . . . . 0.0 112.431 179.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 21.4 mp0 -59.68 -55.86 29.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.604 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.482 ' SG ' ' OD2' ' A' ' 50' ' ' ASP . 46.6 t -61.76 -33.63 74.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.469 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -58.39 -49.63 76.58 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.775 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.444 ' O ' ' OG ' ' A' ' 61' ' ' SER . 63.0 mttp -69.15 -40.87 77.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.178 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -61.75 -49.82 74.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.332 -178.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.4 mp -64.17 -40.38 95.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.358 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.444 ' OG ' ' O ' ' A' ' 58' ' ' LYS . 80.6 p -58.97 -44.52 91.54 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.496 -0.482 . . . . 0.0 110.374 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -68.1 -44.34 76.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.993 0.425 . . . . 0.0 110.679 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 33.6 tp -62.6 -41.47 98.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.334 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.44 ' C ' ' SD ' ' A' ' 64' ' ' MET . 14.4 tmm? -62.66 -40.25 96.47 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.666 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -62.12 -40.94 97.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.577 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -63.16 -38.52 91.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.372 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mt -61.26 -43.63 98.56 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.586 -0.445 . . . . 0.0 110.457 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -66.13 -40.53 90.72 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.197 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.96 -43.35 88.2 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.301 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.79 -43.8 85.83 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.264 -0.574 . . . . 0.0 109.601 -178.068 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -61.49 -39.82 92.34 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.685 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.1 tptt -65.53 -38.74 90.53 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.857 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -58.66 -47.8 83.23 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.563 -179.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 54.7 mt -67.1 -30.18 70.14 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.409 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.98 -84.49 0.69 Allowed Glycine 0 CA--C 1.518 0.219 0 N-CA-C 111.63 -0.588 . . . . 0.0 111.63 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -117.65 97.61 5.95 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.907 0.385 . . . . 0.0 111.443 -179.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -129.26 117.97 21.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.987 -0.552 . . . . 0.0 109.902 179.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.459 ' H ' ' CD ' ' A' ' 78' ' ' GLU . 40.6 mp0 -62.46 -45.49 92.82 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.651 -178.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.6 -24.8 50.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.386 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 39.4 mm -98.98 -48.24 12.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.658 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 34.5 p -62.05 -31.64 72.07 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.858 -179.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -125.76 117.33 23.2 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.24 0.543 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -64.56 -24.97 67.78 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.395 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 58.3 mt -53.15 -58.63 2.63 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-O 121.095 0.474 . . . . 0.0 110.707 -179.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.7 p -73.32 -32.05 36.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.23 179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.593 ' O ' ' ND1' ' A' ' 89' ' ' HIS . . . -61.07 -38.1 94.99 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.344 -1.103 . . . . 0.0 110.344 -179.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 20.8 t -72.66 -49.27 32.8 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.026 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.14 -49.28 64.02 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.629 -179.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.593 ' ND1' ' O ' ' A' ' 86' ' ' GLY . 0.1 OUTLIER -59.88 -45.77 91.45 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.163 0.506 . . . . 0.0 110.019 179.602 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.515 ' N ' ' CG ' ' A' ' 89' ' ' HIS . 0.7 OUTLIER -58.81 -43.38 90.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.25 -178.77 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.47 -44.13 95.35 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.263 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -64.47 -43.22 94.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -62.15 -47.68 83.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.65 -41.77 83.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.0 tp -61.66 -44.05 97.7 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.459 -179.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -64.89 -39.59 93.76 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.769 -179.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 36.0 ttm -64.79 -47.51 77.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.693 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -58.06 -47.54 82.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.511 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.453 ' O ' ' ND2' ' A' ' 103' ' ' ASN . 3.6 mm? -61.36 -40.09 93.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.837 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.421 ' CE2' ' OE2' ' A' ' 104' ' ' GLU . 37.8 t80 -53.65 -49.04 68.79 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 120.326 -0.55 . . . . 0.0 110.048 -179.223 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.54 -41.75 75.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.155 0.502 . . . . 0.0 110.865 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -63.84 -36.46 83.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.484 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 99' ' ' LEU . 88.3 m-20 -65.41 -43.58 90.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.561 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.421 ' OE2' ' CE2' ' A' ' 100' ' ' TYR . 39.5 mt-10 -66.79 -38.37 86.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.598 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -60.07 -48.7 80.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.143 0.497 . . . . 0.0 110.769 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.402 ' C ' ' H ' ' A' ' 108' ' ' GLY . 6.0 tpt180 -61.58 -41.63 97.69 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.35 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.33 -4.94 2.95 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.368 -179.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.402 ' H ' ' C ' ' A' ' 106' ' ' ARG . . . 77.5 32.93 45.08 Favored Glycine 0 C--N 1.331 0.257 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 -111.22 107.9 17.36 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.739 0.304 . . . . 0.0 110.786 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.508 ' O ' ' CG ' ' A' ' 111' ' ' HIS . 30.3 m-85 -102.98 134.93 45.59 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.528 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.508 ' CG ' ' O ' ' A' ' 110' ' ' PHE . 32.3 m-70 -163.56 151.05 12.69 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 121.199 0.523 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 54.6 pttt -58.19 -26.9 63.35 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.119 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -64.08 -41.63 97.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.619 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 5.1 ptm -63.01 -37.63 87.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.999 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 88.7 mt -61.61 -45.01 99.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.93 -178.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -62.13 -40.28 95.39 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.762 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 52.1 m -60.46 -45.28 94.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -61.13 -48.46 81.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.99 0.424 . . . . 0.0 110.368 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -61.56 -51.59 67.95 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 120.243 -0.583 . . . . 0.0 109.934 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 14.1 m -58.36 -39.89 80.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.08 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -57.28 -38.69 74.31 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.276 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 10.4 p -63.61 -41.75 98.28 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.564 0.697 . . . . 0.0 110.178 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 34.5 mt -61.18 -40.11 92.66 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.221 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 94.3 mt -63.13 -41.99 99.41 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.63 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 73.3 mt -57.78 -43.04 83.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 C-N-CA 120.211 -0.595 . . . . 0.0 110.195 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.483 ' O ' ' OG1' ' A' ' 129' ' ' THR . 79.8 m-20 -60.78 -39.81 90.22 Favored 'General case' 0 C--O 1.243 0.727 0 CA-C-O 121.725 0.774 . . . . 0.0 109.486 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 53.4 t -58.74 -32.66 47.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.372 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 60.6 mt -73.95 -43.23 52.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.147 0.498 . . . . 0.0 110.753 178.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.483 ' OG1' ' O ' ' A' ' 126' ' ' ASP . 77.6 p -51.74 -36.93 49.03 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.592 -177.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 3.6 m -41.58 -32.21 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.924 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -65.24 -40.14 93.64 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.532 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 129' ' ' THR . . . 96.79 -46.73 1.73 Allowed Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 23.6 mp0 -79.19 63.02 3.72 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 120.748 0.309 . . . . 0.0 111.163 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -112.44 145.83 39.47 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 121.676 0.75 . . . . 0.0 110.297 179.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 2.8 t -75.33 147.73 39.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.132 178.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . 0.524 ' O ' HG22 ' A' ' 139' ' ' VAL . 31.9 t70 -59.73 -38.85 82.83 Favored 'General case' 0 C--O 1.216 -0.681 0 CA-C-O 121.667 0.746 . . . . 0.0 110.35 179.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 136' ' ' ASP . 44.7 mm-40 -45.34 -33.56 2.55 Favored 'General case' 0 C--N 1.307 -1.255 0 O-C-N 120.997 -1.064 . . . . 0.0 111.257 179.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -67.63 -52.65 35.77 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 120.996 0.427 . . . . 0.0 111.76 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . 0.524 HG22 ' O ' ' A' ' 136' ' ' ASP . 2.1 m -60.53 -32.37 51.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.413 0.625 . . . . 0.0 110.28 -179.263 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -63.91 -48.78 75.24 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.241 0.543 . . . . 0.0 110.3 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -60.16 -32.88 71.46 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.053 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -43.91 97.25 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.054 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -60.01 -41.19 91.62 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . 0.458 ' HH ' ' C ' ' B' ' 154' ' ' GLY . 15.9 m-85 -69.94 -41.45 74.54 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.304 178.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -58.92 -39.98 83.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.913 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -65.74 -46.4 79.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.641 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 11.8 t90 -62.74 -47.26 84.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.419 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt -63.21 -36.89 85.15 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.764 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -58.37 -49.98 75.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.945 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 48.9 p -72.52 -39.17 67.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.583 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -58.75 -46.09 88.24 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.443 -179.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 91.6 mt -67.46 -42.98 87.73 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 CA-C-O 121.405 0.621 . . . . 0.0 110.955 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -62.18 -51.21 68.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.022 -178.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -64.21 -27.91 69.39 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.721 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 3.2 m -62.18 -56.44 18.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.836 0.35 . . . . 0.0 111.599 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.455 ' HG ' ' N ' ' A' ' 157' ' ' LYS . 1.7 pp -67.45 -34.14 76.58 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 120.441 -0.504 . . . . 0.0 111.663 -179.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.455 ' N ' ' HG ' ' A' ' 156' ' ' LEU . 48.7 mtmt -65.38 -39.82 92.73 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.119 -179.464 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -72.84 -10.18 59.51 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.518 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 84.89 36.41 11.47 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 110.534 -1.027 . . . . 0.0 110.534 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -138.64 122.38 17.57 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 120.958 0.409 . . . . 0.0 110.574 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 5.1 t -55.01 137.61 66.04 Favored Pre-proline 0 CA--C 1.541 0.597 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.985 -178.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -75.2 150.8 37.84 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 122.496 2.131 . . . . 0.0 111.71 179.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.311 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 154' ' ' GLY . . . . . 0.458 ' C ' ' HH ' ' A' ' 144' ' ' TYR . . . . . . . . 0 CA--C 1.51 -0.22 0 N-CA-C 110.681 -0.968 . . . . 0.0 110.681 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -141.17 151.55 62.14 Favored Pre-proline 0 CA--C 1.535 0.4 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.147 179.372 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_exo -54.24 -168.35 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.587 0 C-N-CA 122.321 2.014 . . . . 0.0 111.784 178.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 157' ' ' GLU . . . . . 0.442 ' N ' ' CD ' ' B' ' 157' ' ' GLU . 3.2 mp0 -100.82 118.67 37.36 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.334 179.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 4.1 mp -133.6 144.76 49.48 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.817 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -83.46 132.54 34.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.732 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 160' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -60.28 -42.52 95.61 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.279 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 161' ' ' ASP . . . . . 0.427 ' O ' ' HG3' ' B' ' 164' ' ' GLU . 5.5 t70 -64.74 -54.14 36.12 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.416 0.627 . . . . 0.0 110.675 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 162' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -60.27 -32.3 71.04 Favored 'General case' 0 C--N 1.315 -0.93 0 O-C-N 121.507 -0.745 . . . . 0.0 110.146 -179.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 41.2 tp -60.96 -43.06 99.29 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.535 -178.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' B' ' 161' ' ' ASP . 0.0 OUTLIER -67.56 -31.72 71.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.619 179.735 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 165' ' ' ALA . . . . . 0.4 ' N ' ' HG3' ' B' ' 164' ' ' GLU . . . -60.88 -50.45 73.38 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.424 -178.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -40.38 85.85 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.946 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.26 -53.83 52.97 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 119.547 -0.861 . . . . 0.0 110.423 -177.363 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 168' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -53.23 -44.69 68.27 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -55.99 -49.47 73.54 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.929 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 5.8 tp -55.05 -47.22 75.08 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.267 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -55.43 -45.29 84.27 Favored Glycine 0 CA--C 1.525 0.67 0 C-N-CA 120.491 -0.861 . . . . 0.0 110.982 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 172' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -59.36 -44.15 92.73 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.514 0.673 . . . . 0.0 110.218 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -58.92 -55.55 33.75 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.459 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . 0.447 ' O ' ' OE2' ' B' ' 178' ' ' GLU . 8.7 mp -58.84 -35.76 73.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.346 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 24.8 tp -55.07 -43.05 73.54 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 120.288 -0.565 . . . . 0.0 109.703 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -53.11 -32.9 49.81 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.37 -178.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 177' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -136.41 104.4 5.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.494 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 178' ' ' GLU . . . . . 0.447 ' OE2' ' O ' ' B' ' 174' ' ' LEU . 52.2 mm-40 -112.07 -33.3 6.3 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.005 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 179' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -88.95 112.98 23.98 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.884 0.373 . . . . 0.0 111.004 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 180' ' ' SER . . . . . . . . . . . . . 9.9 m -150.76 146.61 26.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.327 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 8.3 t -62.76 -17.73 61.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.74 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 182' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -59.26 -42.21 90.61 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.57 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 183' ' ' LEU . . . . . . . . . . . . . 14.2 mt -58.71 -41.6 86.72 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.589 -0.445 . . . . 0.0 110.234 -178.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 184' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -64.58 -32.7 74.46 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -61.21 -60.31 3.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.525 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 186' ' ' ALA . . . . . . . . . . . . . . . -56.8 -37.18 70.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.428 -178.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 187' ' ' ALA . . . . . . . . . . . . . . . -68.22 -40.89 81.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.909 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 188' ' ' SER . . . . . 0.54 ' O ' ' O ' ' B' ' 189' ' ' ALA . 18.8 m -64.83 -46.42 81.99 Favored 'General case' 0 CA--C 1.516 -0.338 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.08 -179.552 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 189' ' ' ALA . . . . . 0.54 ' O ' ' O ' ' B' ' 188' ' ' SER . . . . . . . . 0 CA--C 1.556 1.187 0 O-C-N 123.888 0.743 . . . . 0.0 111.29 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.71 151.89 23.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.304 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.2 134.72 44.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.72 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.486 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 3.7 mm? -88.96 164.34 15.16 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.641 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.25 166.87 34.52 Favored Pre-proline 0 N--CA 1.447 -0.61 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.108 -178.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -62.31 153.09 72.66 Favored 'Trans proline' 0 N--CA 1.495 1.588 0 C-N-CA 122.852 2.368 . . . . 0.0 112.075 179.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.7 mt -99.38 148.12 34.24 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.405 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -54.55 173.86 0.22 Allowed 'Trans proline' 0 N--CA 1.495 1.583 0 C-N-CA 122.705 2.27 . . . . 0.0 111.982 178.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -47.24 162.1 0.21 Allowed 'Trans proline' 0 C--N 1.313 -1.295 0 C-N-CA 122.725 2.284 . . . . 0.0 111.488 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -107.31 100.66 34.63 Favored Pre-proline 0 CA--C 1.542 0.638 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.449 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -53.79 145.32 50.63 Favored 'Trans proline' 0 N--CA 1.495 1.61 0 C-N-CA 122.595 2.197 . . . . 0.0 111.958 178.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.92 -30.17 68.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.011 0.434 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.439 ' OE1' ' N ' ' A' ' 13' ' ' GLN . 4.3 mp0 -58.08 -38.47 76.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.882 0.372 . . . . 0.0 110.7 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -95.72 33.6 1.63 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.048 0.452 . . . . 0.0 110.911 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -80.98 -30.8 34.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.562 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.0 t -69.85 -12.66 61.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.661 0.267 . . . . 0.0 111.095 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.6 pt -112.39 3.4 8.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-O 121.007 0.432 . . . . 0.0 110.479 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -56.96 -37.07 71.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.942 -179.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -58.99 -38.71 79.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.558 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 55.1 m80 -65.81 -42.45 90.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.779 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 50.0 mt -62.83 -45.7 91.38 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.066 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.1 mmm-85 -64.0 -41.13 97.59 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.182 0.515 . . . . 0.0 110.202 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 34.2 m -60.97 -44.26 97.58 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.981 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.11 -38.85 89.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.534 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -54.44 -41.11 69.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.266 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -78.5 -51.25 10.24 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.367 0.603 . . . . 0.0 110.663 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.507 ' O ' ' N ' ' A' ' 31' ' ' ASP . 45.8 m80 -57.86 -23.94 55.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.864 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.74 -46.48 64.06 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.38 -179.665 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -79.79 -46.75 16.38 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.752 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -65.67 -59.22 4.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.06 -179.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 27' ' ' HIS . 1.2 m-20 -137.74 112.9 9.12 Favored Pre-proline 0 CA--C 1.538 0.51 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.111 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -71.08 -29.12 18.17 Favored 'Trans proline' 0 N--CA 1.492 1.386 0 C-N-CA 122.236 1.957 . . . . 0.0 112.168 -179.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 97.4 t -61.4 -47.25 94.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.616 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 95.2 t -67.43 -45.99 84.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.265 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.09 -40.85 95.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.745 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.527 ' N ' HH21 ' A' ' 39' ' ' ARG . 90.4 t80 -60.48 -50.97 71.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.026 0.441 . . . . 0.0 110.447 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -64.92 -40.9 95.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.347 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 44.5 t -55.34 -45.32 76.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.955 0.407 . . . . 0.0 110.299 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.527 HH21 ' N ' ' A' ' 36' ' ' TYR . 68.9 mtm180 -61.23 -41.11 96.31 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.034 179.515 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.1 tp -55.52 -45.41 77.12 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.473 ' C ' ' CD1' ' A' ' 41' ' ' TYR . 15.0 t80 -57.73 -46.48 84.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.267 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.76 -48.53 79.39 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 123.772 0.67 . . . . 0.0 111.035 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 48.0 ttp -60.95 -41.3 96.03 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 120.829 0.347 . . . . 0.0 110.875 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -59.12 -48.86 80.07 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.08 0.467 . . . . 0.0 111.472 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.8 t -73.4 -36.57 66.05 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.651 -0.419 . . . . 0.0 110.95 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -57.93 -54.87 33.99 Favored Glycine 0 CA--C 1.528 0.86 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.553 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -61.62 -37.72 85.01 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.31 -44.94 88.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.007 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.503 ' O ' ' O ' ' A' ' 50' ' ' ASP . 48.2 mt -84.03 -85.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.197 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.503 ' O ' ' O ' ' A' ' 49' ' ' ILE . 15.4 t70 55.17 135.78 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.206 0 O-C-N 123.772 0.67 . . . . 0.0 111.024 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.516 ' HG ' ' CG2' ' A' ' 53' ' ' THR . 0.3 OUTLIER -100.21 9.32 42.94 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 120.814 0.34 . . . . 0.0 110.258 -179.74 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.3 mttt 56.11 67.67 0.97 Allowed 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.432 -179.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.516 ' CG2' ' HG ' ' A' ' 51' ' ' SER . 1.2 t -145.77 151.21 45.45 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.054 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -57.06 -35.49 98.94 Favored 'Trans proline' 0 N--CA 1.495 1.575 0 C-N-CA 122.431 2.088 . . . . 0.0 112.612 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -65.74 -52.77 48.46 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.35 0.595 . . . . 0.0 110.724 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.473 ' H ' HG22 ' A' ' 53' ' ' THR . 75.2 m -66.92 -40.03 87.52 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.388 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -57.36 -43.34 83.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.05 0.452 . . . . 0.0 110.526 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.7 tptt -62.99 -40.59 98.22 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.39 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -59.13 -44.38 92.02 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.227 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.12 -42.41 98.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.367 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.4 t -58.67 -46.27 87.57 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.704 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.8 mmtm -66.87 -40.86 87.96 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.292 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 33.0 tp -61.8 -47.04 86.92 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.897 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 49.3 ttm -67.34 -35.48 79.47 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.156 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -60.4 -42.77 96.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.93 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -65.46 -45.1 85.07 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.905 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.2 mt -54.01 -48.43 70.46 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.981 -178.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -63.37 -48.75 76.61 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.361 -0.536 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.56 -40.81 88.52 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.483 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.72 -44.93 96.01 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.742 -179.007 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -61.51 -42.18 98.41 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.112 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.71 -39.19 90.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.453 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -58.29 -46.83 85.37 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.45 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.4 mt -72.07 -30.02 64.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.584 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 92.37 -81.54 1.16 Allowed Glycine 0 N--CA 1.458 0.137 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.482 ' O ' ' O ' ' A' ' 77' ' ' ASN . 0.2 OUTLIER -127.36 -59.16 1.24 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.596 0.236 . . . . 0.0 111.017 -179.471 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.482 ' O ' ' O ' ' A' ' 76' ' ' ASP . 47.3 t-20 46.27 105.63 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.802 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.554 ' CD ' ' H ' ' A' ' 78' ' ' GLU . 3.2 mp0 -42.17 -41.35 2.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.977 0.418 . . . . 0.0 110.709 -179.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.67 -36.49 74.26 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 77' ' ' ASN . 44.2 mm -88.42 -48.68 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.583 179.665 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.0 -54.55 10.83 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.942 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 78' ' ' GLU . 66.6 mt-30 -90.73 98.55 11.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.145 0.498 . . . . 0.0 110.356 -179.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.527 ' CD ' ' H ' ' A' ' 83' ' ' GLU . 2.0 pm0 -61.34 -21.26 63.85 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.088 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 7.4 mm -58.88 -52.44 60.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.966 0.412 . . . . 0.0 110.937 -178.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.5 m -72.54 -33.2 44.32 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -60.11 -40.33 97.01 Favored Glycine 0 C--N 1.335 0.511 0 N-CA-C 110.141 -1.184 . . . . 0.0 110.141 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.598 ' SG ' ' CZ ' ' A' ' 131' ' ' PHE . 89.5 m -65.69 -48.69 71.21 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 178.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.78 -36.55 74.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.368 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -64.23 -45.4 88.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.383 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.7 mt -62.01 -41.39 98.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.512 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -63.64 -46.19 86.76 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.211 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 -64.59 -45.27 87.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.497 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -62.82 -49.59 74.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.373 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.87 -41.07 97.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.147 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.9 tt -64.43 -41.25 96.69 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.722 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.542 ' NZ ' ' O ' ' B' ' 186' ' ' ALA . 25.3 ttpp -60.02 -44.81 94.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.591 -179.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 47.7 ttm -67.39 -43.88 80.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.595 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -60.41 -50.82 72.06 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -59.77 -41.82 91.9 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 120.831 0.348 . . . . 0.0 110.695 -179.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.553 ' O ' ' ND2' ' A' ' 103' ' ' ASN . 30.0 t80 -57.25 -50.41 72.98 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-O 121.211 0.529 . . . . 0.0 110.391 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.1 -39.13 79.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.108 0.48 . . . . 0.0 111.129 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.27 -42.66 99.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.314 -179.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.553 ' ND2' ' O ' ' A' ' 100' ' ' TYR . 0.4 OUTLIER -61.96 -45.84 91.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.262 0.553 . . . . 0.0 110.119 -179.874 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.412 ' N ' ' CG ' ' A' ' 103' ' ' ASN . 92.8 mt-10 -61.56 -34.16 75.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.759 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.572 ' OD2' ' NZ ' ' A' ' 148' ' ' LYS . 32.1 t0 -62.22 -56.42 18.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.18 -29.87 70.23 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.91 0.386 . . . . 0.0 110.708 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.89 -12.04 33.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.308 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 83.04 23.07 56.33 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.129 -0.789 . . . . 0.0 111.129 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -117.78 101.29 8.2 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 120.926 0.393 . . . . 0.0 110.108 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.585 ' N ' ' CD1' ' A' ' 110' ' ' PHE . 0.7 OUTLIER -110.42 142.45 42.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.614 -179.668 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.524 ' CD2' ' O ' ' A' ' 110' ' ' PHE . 32.1 m80 -159.24 168.08 27.38 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.437 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -57.37 -37.05 72.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.283 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -64.99 -39.92 94.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.428 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 4.4 tmm? -56.8 -48.92 76.85 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.242 0.544 . . . . 0.0 109.906 -179.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 65.2 mt -61.38 -38.33 79.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.863 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -62.0 -37.74 85.98 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.608 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 23.1 t -61.86 -44.83 96.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.883 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -61.93 -45.39 93.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.895 0.379 . . . . 0.0 110.729 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.401 ' O ' ' OG ' ' A' ' 122' ' ' SER . 51.1 t80 -60.21 -48.51 81.44 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.36 0.6 . . . . 0.0 109.966 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 96.6 m -59.52 -42.35 92.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.035 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -53.94 -41.04 67.31 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 119' ' ' TYR . 35.1 p -61.8 -40.51 95.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.303 0.573 . . . . 0.0 110.378 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 82.6 mt -62.23 -41.22 98.21 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.552 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.54 -39.33 94.13 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.293 0.568 . . . . 0.0 110.494 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 90.3 mt -60.12 -42.81 91.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 C-N-CA 120.227 -0.589 . . . . 0.0 109.613 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.578 ' O ' ' OG1' ' A' ' 129' ' ' THR . 0.8 OUTLIER -61.37 -39.86 92.18 Favored 'General case' 0 C--O 1.243 0.758 0 CA-C-O 122.077 0.941 . . . . 0.0 109.039 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.435 ' O ' ' CG2' ' A' ' 130' ' ' VAL . 57.0 t -57.55 -34.99 48.43 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.548 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 179.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 80.9 mt -71.56 -44.31 70.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.409 0.624 . . . . 0.0 110.783 178.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.578 ' OG1' ' O ' ' A' ' 126' ' ' ASP . 37.3 p -49.29 -36.2 20.15 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.047 0.451 . . . . 0.0 110.505 -178.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.438 ' C ' ' H ' ' A' ' 132' ' ' GLY . 3.0 m -46.61 -15.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 C-N-CA 120.135 -0.626 . . . . 0.0 110.906 179.174 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.598 ' CZ ' ' SG ' ' A' ' 87' ' ' CYS . 25.2 m-85 -78.71 22.41 0.36 Allowed 'General case' 0 CA--C 1.513 -0.462 0 CA-C-O 120.805 0.335 . . . . 0.0 110.112 -178.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.438 ' H ' ' C ' ' A' ' 130' ' ' VAL . . . 87.35 -82.13 1.62 Allowed Glycine 0 CA--C 1.521 0.428 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.568 178.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -131.61 160.88 34.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.17 0.509 . . . . 0.0 110.503 -179.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.431 ' H ' HD13 ' A' ' 134' ' ' LEU . 0.3 OUTLIER -144.62 179.88 7.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.661 -179.563 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 7.2 t -83.0 153.23 25.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.35 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -58.57 -27.45 64.62 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.988 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -55.97 -47.04 78.4 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.308 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 47.2 m-20 -61.83 -60.78 3.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.075 0.464 . . . . 0.0 111.73 -178.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 23.1 m -51.52 -35.95 17.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.662 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -60.75 -46.99 88.3 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.602 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -61.9 -35.58 78.8 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.81 -44.75 93.84 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.356 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 16.8 ttmt -61.14 -43.94 98.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.323 -178.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -71.55 -36.12 70.85 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.287 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -60.87 -48.47 81.67 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.784 -179.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . 0.453 ' HG3' ' N ' ' A' ' 147' ' ' TRP . 9.8 ptp180 -71.05 -40.5 71.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.257 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' TRP . . . . . 0.453 ' N ' ' HG3' ' A' ' 146' ' ' ARG . 25.2 t90 -58.2 -52.32 66.06 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 120.947 0.403 . . . . 0.0 110.67 -178.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.572 ' NZ ' ' OD2' ' A' ' 105' ' ' ASP . 26.8 tttm -62.02 -36.77 82.55 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.39 -179.392 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -52.69 -50.3 63.57 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.137 0.494 . . . . 0.0 110.254 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' THR . . . . . 0.67 ' HG1' ' N ' ' A' ' 151' ' ' TYR . 22.2 p -70.81 -42.6 70.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.342 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . 0.67 ' N ' ' HG1' ' A' ' 150' ' ' THR . 80.4 t80 -51.02 -50.17 59.06 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.503 -179.063 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.64 -42.69 95.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.194 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . 0.406 ' NE2' ' OE1' ' B' ' 173' ' ' GLU . 3.4 t-80 -64.63 -38.06 89.71 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.606 -179.621 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -61.93 -42.32 98.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.375 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 91.5 m -66.49 -34.38 77.79 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.669 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.0 tt -58.22 -50.26 74.17 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-O 121.258 0.552 . . . . 0.0 110.021 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -63.61 -39.7 95.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.143 0.497 . . . . 0.0 110.669 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -69.74 -21.73 63.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.903 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 78.68 52.11 5.21 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -130.45 135.42 47.97 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 121.102 0.477 . . . . 0.0 111.069 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 6.6 m -56.1 129.33 73.16 Favored Pre-proline 0 CA--C 1.538 0.514 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.142 -178.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -63.9 142.36 81.7 Favored 'Trans proline' 0 N--CA 1.496 1.672 0 C-N-CA 122.301 2.0 . . . . 0.0 112.179 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 . . . . . 0 N--CA 1.462 0.155 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.33 179.866 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.23 0 N-CA-C 110.284 -1.126 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 1.2 p -123.94 151.62 65.21 Favored Pre-proline 0 CA--C 1.535 0.37 0 CA-C-O 120.623 0.249 . . . . 0.0 110.552 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.22 -171.77 0.65 Allowed 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 122.877 2.384 . . . . 0.0 111.815 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 157' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -82.23 100.0 9.62 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.041 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 12.5 mt -110.97 130.81 55.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.884 0.373 . . . . 0.0 110.691 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -68.23 135.16 51.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.16 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 160' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -66.23 -33.19 75.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 161' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.92 -49.47 70.28 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.108 0.48 . . . . 0.0 110.545 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 162' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -63.4 -41.08 98.73 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.611 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 12.8 mt -56.58 -48.09 78.13 Favored 'General case' 0 C--O 1.232 0.149 0 O-C-N 123.354 0.409 . . . . 0.0 111.247 -178.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -63.64 -35.31 80.12 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.317 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 165' ' ' ALA . . . . . . . . . . . . . . . -60.3 -46.92 88.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.116 0.484 . . . . 0.0 111.621 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.88 -45.36 71.2 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.538 -179.106 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.89 -58.28 9.34 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.115 0.483 . . . . 0.0 110.617 -178.161 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 168' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -52.14 -46.23 65.32 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.043 -178.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -58.54 -47.28 84.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.526 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 53.8 tp -58.98 -44.3 91.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.161 -179.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -54.54 -44.21 78.22 Favored Glycine 0 CA--C 1.525 0.672 0 C-N-CA 120.498 -0.858 . . . . 0.0 111.075 -179.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 172' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -61.67 -42.7 99.28 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.195 0.521 . . . . 0.0 110.471 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 173' ' ' GLU . . . . . 0.406 ' OE1' ' NE2' ' A' ' 153' ' ' HIS . 43.6 tt0 -67.4 -38.35 84.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.125 0.488 . . . . 0.0 110.814 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 3.9 mp -63.84 -41.3 97.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.677 -179.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 175' ' ' LEU . . . . . 0.413 ' CD1' ' C ' ' B' ' 175' ' ' LEU . 1.2 pp -87.62 -11.1 49.53 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.973 -179.278 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -82.92 -40.91 19.51 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.462 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 177' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -61.12 167.67 2.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.218 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 178' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -141.26 8.93 2.05 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.681 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 179' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -119.8 128.94 54.18 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.12 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 180' ' ' SER . . . . . . . . . . . . . 39.7 t -175.3 67.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.844 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 10.8 t -63.07 -32.7 74.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.326 0.584 . . . . 0.0 110.5 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 182' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -59.4 -32.0 69.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.531 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 183' ' ' LEU . . . . . . . . . . . . . 45.7 tp -60.29 -46.38 90.07 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 120.219 -0.593 . . . . 0.0 110.054 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 184' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -67.53 -28.17 67.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.086 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 185' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' B' ' 189' ' ' ALA . 0.5 OUTLIER -71.02 -55.81 7.5 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.688 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 186' ' ' ALA . . . . . 0.542 ' O ' ' NZ ' ' A' ' 96' ' ' LYS . . . -64.16 -38.1 89.84 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.844 0.354 . . . . 0.0 110.995 -179.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 187' ' ' ALA . . . . . . . . . . . . . . . -65.07 -64.93 0.75 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.128 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 188' ' ' SER . . . . . 0.427 ' O ' ' O ' ' B' ' 189' ' ' ALA . 26.9 t -70.29 -43.62 70.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.977 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 189' ' ' ALA . . . . . 0.427 ' O ' ' O ' ' B' ' 188' ' ' SER . . . . . . . . 0 C--N 1.326 -0.434 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.063 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.491 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.478 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.14 155.83 21.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.345 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.25 138.82 31.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.431 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 78.4 mt -91.54 159.54 15.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.505 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.83 156.04 74.61 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.537 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.2 143.99 45.4 Favored 'Trans proline' 0 N--CA 1.493 1.472 0 C-N-CA 122.734 2.289 . . . . 0.0 111.404 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.7 mt -93.37 146.79 32.51 Favored Pre-proline 0 C--N 1.329 -0.322 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.625 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -69.76 164.86 32.96 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 122.359 2.039 . . . . 0.0 112.372 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -52.41 128.32 27.3 Favored 'Trans proline' 0 N--CA 1.492 1.4 0 C-N-CA 122.691 2.261 . . . . 0.0 110.691 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 pp -90.09 131.55 38.67 Favored Pre-proline 0 CA--C 1.538 0.488 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.14 -179.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -47.58 153.35 2.19 Favored 'Trans proline' 0 N--CA 1.501 1.966 0 C-N-CA 122.362 2.041 . . . . 0.0 112.525 178.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.82 -23.06 28.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.669 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -62.23 -28.56 69.78 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.835 0.35 . . . . 0.0 110.651 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 20.5 m-30 -100.25 15.62 26.99 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.265 0.555 . . . . 0.0 110.869 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.9 pttm -58.29 -26.78 63.39 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.58 178.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.8 t -68.67 -48.49 63.83 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.447 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.1 pt -76.61 -11.54 13.88 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.243 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.282 -179.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -50.89 -44.98 59.95 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.358 -179.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.422 ' CD2' ' N ' ' A' ' 19' ' ' HIS . 8.0 m170 -65.01 -40.84 95.49 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.771 -0.371 . . . . 0.0 110.175 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.546 ' NE2' ' CG2' ' A' ' 127' ' ' VAL . 2.0 t-80 -62.55 -42.32 99.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.336 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 88.4 mt -63.39 -41.39 98.76 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.59 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.2 tpt85 -61.8 -43.86 98.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.008 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.6 m -60.96 -43.77 98.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.518 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 28' ' ' ASP . . . -55.27 -49.33 72.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.688 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -56.44 -42.85 78.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.503 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.487 ' N ' ' OE1' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -66.12 -35.64 81.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.429 179.758 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.428 ' O ' ' N ' ' A' ' 31' ' ' ASP . 7.5 m80 -85.37 -18.61 33.24 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.568 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 24' ' ' ALA . 48.7 t0 -60.61 -43.15 97.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.836 0.35 . . . . 0.0 110.494 -179.478 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.1 ptpp? -68.37 -27.29 66.11 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.563 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -90.66 -64.79 1.08 Allowed 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.11 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 27' ' ' HIS . 41.5 m-20 -125.18 115.24 25.91 Favored Pre-proline 0 CA--C 1.538 0.503 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.139 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -72.48 -29.65 13.26 Favored 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 121.937 1.758 . . . . 0.0 111.997 -179.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 50.9 t -62.32 -46.25 96.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.004 -179.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.497 ' O ' ' SG ' ' A' ' 38' ' ' CYS . 87.0 t -64.82 -47.06 90.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.261 179.349 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.1 -38.78 90.19 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.828 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -56.54 -49.33 75.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.895 0.379 . . . . 0.0 110.165 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -64.38 -38.93 92.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.337 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.497 ' SG ' ' O ' ' A' ' 34' ' ' VAL . 66.5 m -58.24 -47.3 83.99 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.877 -179.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -59.93 -44.35 94.38 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -179.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.2 tt -60.68 -46.35 90.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.701 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.431 ' CD1' ' C ' ' A' ' 41' ' ' TYR . 2.9 t80 -52.97 -43.51 66.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.979 0.419 . . . . 0.0 110.148 178.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.5 -48.97 78.64 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.644 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.1 ttp -50.16 -63.54 1.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.834 0.35 . . . . 0.0 110.863 -178.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -54.0 -35.46 61.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.607 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 96.3 m -72.05 -40.01 68.66 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.324 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -62.79 -51.8 53.1 Favored Glycine 0 CA--C 1.527 0.784 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.858 -178.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.614 ' SD ' ' N ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -61.26 -37.95 84.95 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.855 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.614 ' N ' ' SD ' ' A' ' 47' ' ' MET . 23.7 tttp -61.62 -43.3 99.11 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.5 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.466 ' O ' ' O ' ' A' ' 50' ' ' ASP . 67.1 mt -75.89 -53.94 14.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.506 -179.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.466 ' O ' ' O ' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -48.16 -176.78 0.0 OUTLIER 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.367 0.603 . . . . 0.0 110.51 -178.576 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.4 m -162.46 58.29 0.22 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.705 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 91.4 mttt 63.34 101.23 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.342 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.448 ' CG2' ' SG ' ' A' ' 56' ' ' CYS . 3.7 t -165.52 146.61 5.99 Favored Pre-proline 0 C--N 1.327 -0.386 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.684 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -59.66 -39.77 70.99 Favored 'Trans proline' 0 N--CA 1.5 1.876 0 C-N-CA 122.291 1.994 . . . . 0.0 112.844 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.99 -58.5 8.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.972 0.415 . . . . 0.0 110.867 -179.418 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.448 ' SG ' ' CG2' ' A' ' 53' ' ' THR . 58.3 m -63.89 -39.75 94.92 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.704 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.0 ttm-85 -56.85 -45.86 82.15 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.697 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 44.5 tttp -65.43 -43.5 90.27 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.545 179.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -60.03 -46.62 88.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.784 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.13 -41.27 97.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.576 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 71.1 m -54.89 -47.21 74.59 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.544 -178.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -68.08 -41.97 81.09 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.689 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 41.7 tp -61.8 -43.8 98.13 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.519 -0.472 . . . . 0.0 110.411 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.438 ' SD ' ' OE2' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -64.71 -41.67 95.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.529 -179.636 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -62.61 -39.96 95.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.696 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -64.19 -39.25 93.59 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.508 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.5 mt -61.17 -42.29 98.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.936 0.398 . . . . 0.0 110.352 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.438 ' OE2' ' SD ' ' A' ' 64' ' ' MET . 96.7 mt-10 -63.75 -48.23 77.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.707 -179.511 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.78 -44.06 94.1 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.366 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.79 -41.85 98.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.235 0.541 . . . . 0.0 109.617 -179.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.9 tttt -55.85 -41.2 73.95 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -63.91 -44.44 92.95 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 120.728 0.299 . . . . 0.0 111.627 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -49.89 -55.15 15.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.952 0.406 . . . . 0.0 110.575 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.561 ' O ' ' N ' ' A' ' 76' ' ' ASP . 15.4 mt -66.76 -31.86 72.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.644 -179.432 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 46.57 -83.96 0.01 OUTLIER Glycine 0 CA--C 1.528 0.889 0 CA-C-N 116.11 -0.496 . . . . 0.0 112.054 178.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.561 ' N ' ' O ' ' A' ' 74' ' ' LEU . 69.3 m-20 -87.49 83.41 7.28 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.8 0.334 . . . . 0.0 111.138 -178.419 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -143.58 119.36 10.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.803 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -72.38 -30.06 64.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.628 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.2 -37.17 84.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.329 -179.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.6 mp -87.47 -50.45 13.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.947 0.403 . . . . 0.0 110.405 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 75.9 p -63.55 -33.57 75.9 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.476 -178.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -121.36 112.73 18.94 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -65.25 -24.32 67.29 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.549 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.5 mt -49.8 -60.85 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.364 -178.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -72.75 -33.51 44.37 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.913 178.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.79 -44.77 96.71 Favored Glycine 0 CA--C 1.521 0.458 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 51.6 t -65.37 -45.84 82.52 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.409 ' O ' ' ND2' ' A' ' 92' ' ' ASN . . . -56.47 -37.94 71.0 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.363 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -45.71 93.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.554 179.373 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.54 -43.29 99.13 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.508 -177.28 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -58.87 -46.14 88.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.593 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.409 ' ND2' ' O ' ' A' ' 88' ' ' ALA . 76.9 m-20 -63.06 -45.55 91.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.727 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -65.05 -44.79 87.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.948 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.81 -42.41 98.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.685 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 69.0 mt -68.67 -38.8 80.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.742 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.52 ' NZ ' ' O ' ' B' ' 186' ' ' ALA . 11.9 tmtt? -61.82 -43.96 97.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.884 -179.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 11.0 tpp -65.53 -46.45 79.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.881 0.372 . . . . 0.0 110.609 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -57.47 -48.31 79.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.878 -178.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -59.19 -42.41 90.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.599 -179.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -55.25 -49.19 72.65 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.538 -0.465 . . . . 0.0 109.928 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.74 -44.48 70.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.888 0.375 . . . . 0.0 111.058 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -60.14 -40.46 89.88 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.193 -179.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -62.95 -43.95 97.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.475 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -65.77 -27.82 68.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.613 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.529 ' OD2' ' NZ ' ' A' ' 148' ' ' LYS . 18.1 t0 -69.06 -43.63 74.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.826 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -64.32 -38.46 91.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.978 0.418 . . . . 0.0 110.197 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.61 -9.18 8.06 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.283 -178.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 80.55 33.42 31.22 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.523 ' O ' ' SD ' ' A' ' 114' ' ' MET . 40.3 ttm180 -112.98 106.82 15.16 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.751 0.31 . . . . 0.0 110.549 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -108.69 134.14 51.82 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.093 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -157.37 163.44 38.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.386 0.612 . . . . 0.0 110.621 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -64.06 -36.29 83.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.211 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.638 ' ND2' ' CE1' ' B' ' 182' ' ' TYR . 86.6 m-20 -61.06 -41.41 96.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.26 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.523 ' SD ' ' O ' ' A' ' 109' ' ' ARG . 19.1 mtp -62.88 -40.33 97.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.163 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 90.2 mt -59.45 -42.54 88.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 C-N-CA 120.333 -0.547 . . . . 0.0 109.904 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -63.88 -35.67 81.41 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.614 179.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 34.9 m -60.78 -45.15 95.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.782 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -61.66 -44.85 96.18 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.029 0.443 . . . . 0.0 110.329 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.448 ' O ' ' OG ' ' A' ' 122' ' ' SER . 59.5 t80 -56.92 -46.84 81.72 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.334 0.588 . . . . 0.0 109.537 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 7.1 m -57.52 -43.41 84.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.176 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -55.45 -42.71 74.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.845 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.448 ' OG ' ' O ' ' A' ' 119' ' ' TYR . 83.1 p -60.42 -41.98 95.07 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 121.027 0.441 . . . . 0.0 110.682 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.5 mp -61.94 -42.34 98.99 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.696 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 9.0 mp -62.38 -40.55 96.82 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.6 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 83.2 mt -56.73 -43.85 80.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 C-N-CA 119.519 -0.872 . . . . 0.0 109.594 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.456 ' O ' ' OG1' ' A' ' 129' ' ' THR . 36.1 m-20 -59.05 -40.56 85.51 Favored 'General case' 0 C--O 1.248 0.979 0 CA-C-O 121.64 0.733 . . . . 0.0 110.144 179.659 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.546 ' CG2' ' NE2' ' A' ' 20' ' ' HIS . 88.4 t -58.1 -32.03 43.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.455 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 66.7 mt -72.85 -44.78 57.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.652 178.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.456 ' OG1' ' O ' ' A' ' 126' ' ' ASP . 81.5 p -49.31 -34.77 16.42 Favored 'General case' 0 CA--C 1.513 -0.476 0 C-N-CA 120.704 -0.399 . . . . 0.0 110.32 -178.067 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.454 ' CG2' ' O ' ' A' ' 127' ' ' VAL . 4.8 m -42.29 -35.43 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 C-N-CA 120.237 -0.585 . . . . 0.0 111.03 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -63.02 -41.68 99.61 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 121.014 0.435 . . . . 0.0 110.563 -179.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 102.07 -17.68 53.64 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -102.02 66.26 1.02 Allowed 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.892 0.377 . . . . 0.0 110.407 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 6.4 tp -94.45 123.44 37.87 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 8.8 t -80.21 166.0 21.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.256 0.55 . . . . 0.0 110.475 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -58.86 -41.35 86.81 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.163 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -43.8 -49.4 8.14 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 120.835 0.35 . . . . 0.0 110.451 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.32 -39.63 92.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.155 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 85.5 t -59.81 -46.47 93.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.151 0.5 . . . . 0.0 110.463 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -63.23 -44.98 93.71 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.314 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 35.7 m170 -61.69 -42.14 98.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.164 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -52.0 -52.43 50.67 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.132 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 36.1 mmtm -67.57 -35.83 79.77 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.407 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -70.89 -41.43 71.33 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -62.28 -47.74 83.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.981 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -67.04 -40.69 87.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.567 179.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 17.9 t90 -56.81 -51.11 70.22 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.106 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.529 ' NZ ' ' OD2' ' A' ' 105' ' ' ASP . 6.0 mmtp -60.03 -42.52 94.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.454 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -58.09 -47.78 82.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.991 0.424 . . . . 0.0 110.287 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 76.3 p -72.99 -44.73 60.71 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.198 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -50.17 -52.11 38.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.723 0.297 . . . . 0.0 110.266 -178.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . 0.438 ' O ' ' SG ' ' A' ' 155' ' ' CYS . 85.5 mt -63.3 -43.24 98.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.147 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . 0.46 ' CE1' ' OE2' ' B' ' 173' ' ' GLU . 82.4 t60 -63.07 -44.06 96.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.983 -179.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -64.35 -42.12 96.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.764 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . 0.438 ' SG ' ' O ' ' A' ' 152' ' ' ILE . 6.6 p -66.25 -32.96 74.69 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.351 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 1.3 tp -61.37 -47.09 87.43 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.082 179.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -64.12 -39.13 93.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.42 -178.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -67.45 -20.3 65.48 Favored 'General case' 0 C--N 1.317 -0.826 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.211 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 82.33 51.55 4.34 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 110.619 -0.992 . . . . 0.0 110.619 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -135.96 128.35 30.28 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.018 0.437 . . . . 0.0 110.213 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' THR . . . . . 0.404 ' O ' ' CG2' ' A' ' 161' ' ' THR . 14.8 t -53.97 121.94 32.25 Favored Pre-proline 0 CA--C 1.538 0.519 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.427 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -49.01 138.31 27.55 Favored 'Trans proline' 0 N--CA 1.497 1.733 0 C-N-CA 121.916 1.744 . . . . 0.0 112.421 179.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 . . . . . 0 N--CA 1.463 0.217 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.108 179.558 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.462 0 N-CA-C 110.362 -1.095 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.06 131.35 22.22 Favored Pre-proline 0 CA--C 1.545 0.751 0 C-N-CA 121.011 -0.276 . . . . 0.0 110.683 -179.33 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -45.9 167.15 0.06 OUTLIER 'Trans proline' 0 N--CA 1.496 1.631 0 C-N-CA 122.084 1.856 . . . . 0.0 111.957 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 157' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -83.46 107.99 16.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.638 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 25.7 mt -113.2 125.08 53.94 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -71.42 131.22 43.04 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 160' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -57.23 -38.66 74.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 161' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -67.15 -49.9 63.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.889 0.376 . . . . 0.0 111.051 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 162' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -63.93 -38.15 90.01 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.451 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 2.1 tt -59.84 -44.23 94.18 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.948 0.404 . . . . 0.0 110.168 -178.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -65.4 -35.59 81.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.007 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 165' ' ' ALA . . . . . . . . . . . . . . . -59.67 -46.84 87.82 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.058 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.21 -37.97 72.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.834 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.77 -56.1 20.56 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.24 -178.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 168' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -55.26 -43.12 74.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.238 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -57.74 -47.32 82.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.37 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 2.8 tp -57.98 -43.68 86.68 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.114 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -55.54 -42.82 85.15 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.699 -0.96 . . . . 0.0 110.699 -179.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 172' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -59.07 -49.54 77.5 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.896 0.379 . . . . 0.0 110.933 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 173' ' ' GLU . . . . . 0.46 ' OE2' ' CE1' ' A' ' 153' ' ' HIS . 1.5 pt-20 -67.2 -43.65 81.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.867 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 3.4 tp -64.47 -39.47 93.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.329 -178.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 48.9 tp -60.27 -42.69 95.92 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.889 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -71.72 -38.57 70.46 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 120.53 -0.468 . . . . 0.0 111.588 -179.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 177' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -46.57 141.85 3.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.513 -179.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 178' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -129.65 12.24 5.82 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.7 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 179' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -120.75 124.83 46.08 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.292 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 180' ' ' SER . . . . . . . . . . . . . 27.3 p -179.52 61.25 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.791 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 12.7 t -65.71 -21.25 66.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.055 0.455 . . . . 0.0 110.683 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 182' ' ' TYR . . . . . 0.638 ' CE1' ' ND2' ' A' ' 113' ' ' ASN . 15.6 m-85 -57.32 -29.91 64.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.186 -179.468 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 183' ' ' LEU . . . . . . . . . . . . . 19.1 mt -61.96 -42.12 98.76 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.385 179.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 184' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -67.59 -35.96 79.96 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 121.017 0.437 . . . . 0.0 110.456 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 185' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' B' ' 189' ' ' ALA . 66.2 mm-40 -70.73 -43.28 69.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.864 179.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 186' ' ' ALA . . . . . 0.52 ' O ' ' NZ ' ' A' ' 96' ' ' LYS . . . -62.61 -39.6 94.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.731 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 187' ' ' ALA . . . . . . . . . . . . . . . -71.49 -45.1 63.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.845 0.355 . . . . 0.0 110.762 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 188' ' ' SER . . . . . . . . . . . . . 4.6 t -78.73 -18.76 53.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.384 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 189' ' ' ALA . . . . . 0.504 ' N ' ' O ' ' B' ' 185' ' ' GLU . . . . . . . . 0 CA--C 1.542 0.637 0 C-N-CA 120.344 -0.542 . . . . 0.0 110.634 -178.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 ptt? . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.36 142.45 58.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.81 131.39 39.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.353 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.536 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 3.6 mm? -84.63 147.76 26.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.84 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.73 162.4 36.63 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.131 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.38 148.56 55.05 Favored 'Trans proline' 0 C--N 1.309 -1.55 0 C-N-CA 122.69 2.26 . . . . 0.0 111.915 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.9 mt -90.07 147.6 37.51 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.49 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -63.81 166.35 16.26 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.652 2.235 . . . . 0.0 112.196 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -41.22 135.8 2.59 Favored 'Trans proline' 0 C--N 1.312 -1.352 0 C-N-CA 122.473 2.115 . . . . 0.0 111.878 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.44 121.6 63.05 Favored Pre-proline 0 CA--C 1.54 0.56 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.762 -179.52 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -71.31 152.13 60.85 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.251 1.967 . . . . 0.0 111.938 178.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.73 -33.29 71.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.804 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -56.47 -34.86 67.29 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.637 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -93.85 29.6 2.04 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.141 0.496 . . . . 0.0 110.163 -178.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.6 ttmt -75.03 -32.01 61.47 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.664 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.0 m -54.91 -17.94 4.3 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.672 -178.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 44.9 pt -116.39 8.99 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.52 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.3 -52.94 63.48 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.234 -178.422 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.489 ' C ' ' HD1' ' A' ' 19' ' ' HIS . 6.8 t-80 -59.73 -37.81 79.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.05 0.452 . . . . 0.0 110.732 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -64.31 -39.21 93.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.599 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.463 ' CD2' HH12 ' A' ' 39' ' ' ARG . 71.7 mt -62.33 -44.32 96.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.214 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -61.69 -40.74 96.08 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.431 -179.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.3 m -60.51 -43.24 97.29 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.99 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.424 ' O ' ' OD2' ' A' ' 28' ' ' ASP . . . -65.6 -43.86 88.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.702 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -51.06 -41.37 59.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.291 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -79.45 -48.06 14.59 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.244 0.545 . . . . 0.0 110.945 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.434 ' O ' ' N ' ' A' ' 31' ' ' ASP . 0.3 OUTLIER -62.43 -20.55 64.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.615 -179.203 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.424 ' OD2' ' O ' ' A' ' 24' ' ' ALA . 6.7 m-20 -52.57 -41.83 63.95 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -88.41 -35.12 17.27 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.251 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.536 ' NH1' ' OD1' ' B' ' 184' ' ' ASP . 26.7 ttm-85 -70.57 -58.6 3.52 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.524 -0.471 . . . . 0.0 110.76 -178.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 27' ' ' HIS . 17.1 m-20 -135.01 114.88 11.9 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.72 -179.411 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -74.99 -30.02 7.62 Favored 'Trans proline' 0 N--CA 1.489 1.264 0 C-N-CA 122.286 1.991 . . . . 0.0 112.236 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 87.6 t -61.84 -49.89 82.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.55 -179.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.524 ' O ' ' SG ' ' A' ' 38' ' ' CYS . 64.3 t -68.33 -45.51 82.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.357 179.346 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.11 -39.52 82.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.799 -179.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -60.96 -50.14 74.6 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.065 0.46 . . . . 0.0 110.391 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -66.23 -34.94 79.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.375 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.524 ' SG ' ' O ' ' A' ' 34' ' ' VAL . 91.2 m -59.4 -45.21 92.12 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.095 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.463 HH12 ' CD2' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -61.4 -44.17 97.6 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.818 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.3 tp -58.68 -44.54 90.25 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.106 -0.638 . . . . 0.0 109.683 -179.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -55.05 -47.05 75.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.988 0.423 . . . . 0.0 110.083 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.29 -46.66 89.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.237 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 7.6 ttt -59.01 -43.72 91.57 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.613 -178.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -62.91 -44.57 95.72 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.251 0.548 . . . . 0.0 110.987 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.2 m -73.6 -43.26 60.12 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.085 0.469 . . . . 0.0 110.244 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.95 -52.72 37.64 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 -179.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.48 ' O ' ' O ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -65.69 -36.05 82.53 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.9 0.381 . . . . 0.0 110.146 179.459 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.479 ' N ' ' SD ' ' A' ' 47' ' ' MET . 15.8 tttp -63.29 -40.35 97.12 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.265 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 81.4 mt -66.8 -47.04 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.527 -179.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.574 ' O ' ' CB ' ' A' ' 51' ' ' SER . 22.2 t70 -153.04 -135.37 0.06 Allowed 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 118.935 -0.555 . . . . 0.0 109.63 -179.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.574 ' CB ' ' O ' ' A' ' 50' ' ' ASP . 24.5 p 130.62 -35.85 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.96 0 O-C-N 124.187 0.929 . . . . 0.0 110.355 179.044 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -60.76 -47.78 84.76 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.257 -178.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.424 HG23 ' H ' ' A' ' 56' ' ' CYS . 12.0 t -56.94 136.77 79.74 Favored Pre-proline 0 C--N 1.32 -0.693 0 C-N-CA 120.388 -0.525 . . . . 0.0 111.087 -179.255 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.94 -35.96 73.18 Favored 'Trans proline' 0 N--CA 1.497 1.734 0 C-N-CA 122.117 1.878 . . . . 0.0 112.641 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -55.33 -47.54 75.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.863 0.363 . . . . 0.0 110.466 -178.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.493 ' HG ' ' CD1' ' A' ' 60' ' ' LEU . 17.9 t -71.11 -32.06 68.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.076 179.488 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 59.3 ttt-85 -55.62 -52.25 64.43 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.443 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.474 ' CB ' ' HZ1' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -66.43 -41.4 89.26 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.699 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -60.37 -47.44 86.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.467 -179.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.493 ' CD1' ' HG ' ' A' ' 56' ' ' CYS . 24.4 mt -63.81 -41.42 97.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.644 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 57.1 m -53.1 -50.13 65.08 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.86 0.362 . . . . 0.0 110.644 -178.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -65.21 -43.61 91.0 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.449 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 36.2 tp -60.71 -42.9 98.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.262 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 37.7 ttm -65.51 -41.59 93.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.006 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -62.09 -39.41 92.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.331 -179.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -62.46 -42.93 99.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.446 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.7 mt -59.67 -45.43 92.09 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.611 -179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -67.22 -43.68 81.43 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.276 0.56 . . . . 0.0 110.232 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.67 -46.15 89.54 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.631 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.16 -42.49 86.09 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.331 -178.332 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -59.85 -41.53 91.66 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.081 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -59.99 -41.15 91.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.569 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -61.89 -42.65 99.33 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.381 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.3 mt -79.32 -29.15 42.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.144 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.72 -88.0 1.05 Allowed Glycine 0 N--CA 1.451 -0.366 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.455 ' O ' ' O ' ' A' ' 77' ' ' ASN . 0.4 OUTLIER -110.9 -62.98 1.46 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.835 0.35 . . . . 0.0 110.685 -179.43 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.455 ' O ' ' O ' ' A' ' 76' ' ' ASP . 33.9 t-20 48.49 105.83 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.674 -179.207 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -42.81 -50.97 5.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.303 -179.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -48.16 -27.72 2.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.686 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.436 ' C ' ' H ' ' A' ' 82' ' ' GLN . 49.4 mm -102.22 -50.38 9.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.01 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.13 5.23 1.27 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.532 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.436 ' H ' ' C ' ' A' ' 80' ' ' ILE . 69.3 mt-30 -156.21 102.16 2.1 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -58.1 -22.92 52.82 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.653 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.476 ' O ' ' SG ' ' A' ' 87' ' ' CYS . 72.6 mt -58.44 -55.8 20.32 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.678 -178.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.1 p -72.16 -34.25 49.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -55.85 -50.14 62.69 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -179.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.605 ' SG ' ' N ' ' A' ' 88' ' ' ALA . 15.8 p -63.19 -47.42 82.66 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.739 -0.384 . . . . 0.0 109.981 179.287 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.605 ' N ' ' SG ' ' A' ' 87' ' ' CYS . . . -55.78 -35.03 65.82 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.587 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -66.06 -43.47 87.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.128 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.7 mt -60.94 -41.16 95.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.929 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -62.53 -45.31 93.56 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.839 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -60.8 -42.37 97.48 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.366 -0.533 . . . . 0.0 110.916 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -63.46 -47.65 80.95 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.771 -0.371 . . . . 0.0 111.01 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.43 -46.69 85.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.985 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.5 -40.3 96.26 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.693 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -59.23 -44.74 92.32 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.318 -179.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.408 ' O ' ' OG ' ' A' ' 117' ' ' SER . 36.1 mmm -67.15 -42.75 83.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.047 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.478 ' CD2' ' OD2' ' A' ' 102' ' ' ASP . 38.8 t80 -63.4 -57.92 8.73 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.692 -179.174 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.74 -39.71 65.52 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.471 -179.111 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.432 ' CZ ' ' OE2' ' A' ' 104' ' ' GLU . 55.0 t80 -54.86 -48.15 73.31 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.854 -179.194 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.1 -38.87 86.43 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.989 179.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.478 ' OD2' ' CD2' ' A' ' 98' ' ' PHE . 80.4 m-20 -59.71 -46.85 87.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.789 -179.246 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -63.28 -44.07 96.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.625 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.432 ' OE2' ' CZ ' ' A' ' 100' ' ' TYR . 87.3 mt-10 -66.52 -31.74 72.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.566 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -68.38 -57.42 5.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.981 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 25.3 mtp-105 -64.33 -34.33 77.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.51 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.08 -12.1 35.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.452 -179.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 80.34 26.88 53.81 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 16.3 mmt85 -121.58 103.18 8.73 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.764 0.316 . . . . 0.0 110.227 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -99.88 141.82 32.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.329 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -154.03 169.9 22.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.677 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -62.43 -31.59 72.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.098 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -62.45 -33.6 75.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.56 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.411 ' HG2' ' N ' ' A' ' 115' ' ' ILE . 0.2 OUTLIER -57.89 -48.96 78.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.182 0.515 . . . . 0.0 109.613 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.411 ' N ' ' HG2' ' A' ' 114' ' ' MET . 53.4 mt -61.27 -44.82 99.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.553 -177.378 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.31 -40.12 95.29 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.787 179.192 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' A' ' 97' ' ' MET . 9.8 t -56.45 -51.35 68.74 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.831 -178.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -62.19 -47.3 85.11 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.484 -0.487 . . . . 0.0 110.854 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.429 ' CE1' ' CD2' ' A' ' 19' ' ' HIS . 44.3 t80 -60.94 -55.82 28.37 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-O 121.253 0.549 . . . . 0.0 110.689 -179.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 12.9 m -55.86 -44.38 78.02 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.247 -179.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -53.69 -37.58 63.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.102 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 6.5 p -62.42 -44.66 95.91 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-O 121.145 0.498 . . . . 0.0 110.901 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.9 mp -61.95 -39.88 93.65 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.161 0.505 . . . . 0.0 110.394 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 70.7 mt -62.27 -39.14 91.94 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.209 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 77.4 mt -59.68 -41.91 86.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.593 ' O ' ' OG1' ' A' ' 129' ' ' THR . 66.9 m-20 -59.43 -42.5 92.02 Favored 'General case' 0 C--O 1.245 0.856 0 CA-C-O 122.138 0.971 . . . . 0.0 109.912 179.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 94.0 t -59.36 -33.15 50.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.338 179.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 89.3 mt -73.27 -44.31 55.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.632 178.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.593 ' OG1' ' O ' ' A' ' 126' ' ' ASP . 36.6 p -48.25 -38.8 19.52 Favored 'General case' 0 CA--C 1.506 -0.737 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.508 -176.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 4.3 m -41.56 -34.14 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.047 -0.661 . . . . 0.0 110.948 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -63.28 -46.43 86.84 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.43 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 107.84 44.06 1.25 Allowed Glycine 0 CA--C 1.527 0.839 0 N-CA-C 111.388 -0.685 . . . . 0.0 111.388 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -128.19 57.43 1.57 Allowed 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 121.007 0.432 . . . . 0.0 109.998 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -84.92 90.04 7.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.057 0.456 . . . . 0.0 112.042 -178.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.661 ' N ' HD21 ' A' ' 138' ' ' ASN . 0.1 OUTLIER -92.49 145.83 24.15 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.395 179.47 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . 0.436 ' N ' ' HG1' ' A' ' 135' ' ' THR . 0.8 OUTLIER -39.24 -36.2 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.83 -179.432 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -57.67 -59.55 5.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.78 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . 0.661 HD21 ' N ' ' A' ' 135' ' ' THR . 2.2 p30 -50.8 -47.5 59.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.248 0.547 . . . . 0.0 110.712 -179.29 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . 0.485 ' N ' ' CG ' ' A' ' 138' ' ' ASN . 70.2 t -60.76 -43.25 94.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.266 -178.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.6 -42.37 96.65 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.781 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 26.8 m170 -65.86 -43.86 87.16 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.196 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 9.8 tmm_? -58.67 -44.71 90.29 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.48 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -64.77 -38.13 89.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.819 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -69.71 -44.05 71.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.912 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -58.47 -41.71 85.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.854 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 66.7 mtp180 -69.83 -40.59 75.76 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.196 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 24.3 t90 -58.14 -51.46 69.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.836 0.351 . . . . 0.0 110.658 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 11.8 mmtm -61.99 -41.75 98.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.052 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -51.3 -52.63 43.46 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 120.719 -0.393 . . . . 0.0 111.103 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 36.2 p -69.19 -40.28 78.17 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.263 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -55.88 -48.34 75.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.948 0.404 . . . . 0.0 110.945 -178.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 36.8 mt -63.85 -44.97 98.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.508 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -55.5 -43.06 75.31 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.485 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -62.55 -38.03 88.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.503 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . 0.601 ' O ' ' OD1' ' A' ' 158' ' ' ASN . 80.6 m -60.21 -36.18 77.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.168 0.508 . . . . 0.0 110.037 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 8.2 mp -67.68 -44.58 77.45 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 120.06 -0.656 . . . . 0.0 110.843 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -64.87 -43.36 93.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.442 -178.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' ASN . . . . . 0.601 ' OD1' ' O ' ' A' ' 155' ' ' CYS . 33.0 p30 -69.57 -19.97 63.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.547 -179.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . 0.562 ' N ' ' OD1' ' A' ' 158' ' ' ASN . . . 84.01 48.46 5.15 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.395 -1.082 . . . . 0.0 110.395 -178.503 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . 0.489 ' N ' ' OD1' ' A' ' 158' ' ' ASN . 58.4 mt-10 -141.61 159.77 41.53 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.82 0.343 . . . . 0.0 110.471 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 3.6 t -97.57 142.92 25.3 Favored Pre-proline 0 CA--C 1.535 0.383 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.297 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -68.75 155.15 69.7 Favored 'Trans proline' 0 N--CA 1.495 1.602 0 C-N-CA 122.512 2.142 . . . . 0.0 111.905 179.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 . . . . . 0 N--CA 1.464 0.23 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.079 179.777 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.259 0 N-CA-C 110.372 -1.091 . . . . 0.0 110.372 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.49 147.55 64.47 Favored Pre-proline 0 CA--C 1.535 0.38 0 CA-C-O 120.571 0.224 . . . . 0.0 110.424 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.74 -158.63 0.06 OUTLIER 'Trans proline' 0 N--CA 1.491 1.377 0 C-N-CA 122.653 2.235 . . . . 0.0 111.829 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 157' ' ' GLU . . . . . 0.538 ' N ' ' OE1' ' B' ' 157' ' ' GLU . 56.7 mp0 -99.32 117.55 34.01 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.886 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 34.6 mt -114.14 137.39 51.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.387 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -82.93 116.62 22.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.058 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 160' ' ' GLU . . . . . 0.569 ' CD ' ' H ' ' B' ' 160' ' ' GLU . 1.0 OUTLIER -54.88 -39.1 68.34 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.024 -179.412 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 161' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -62.9 -58.15 8.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.204 0.526 . . . . 0.0 110.636 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 162' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' B' ' 165' ' ' ALA . 29.9 m-20 -63.28 -48.3 78.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.435 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 14.3 tp -43.5 -49.55 7.3 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.438 -179.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -68.46 -31.24 70.4 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.971 -0.292 . . . . 0.0 110.786 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 165' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' B' ' 162' ' ' ASP . . . -65.81 -52.61 49.22 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 120.795 0.331 . . . . 0.0 111.507 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.29 -40.48 93.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.111 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.98 -50.99 68.6 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 119.841 -0.744 . . . . 0.0 110.362 -178.114 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 168' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -52.49 -46.04 66.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.235 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -60.47 -49.9 75.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.326 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 170' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' B' ' 174' ' ' LEU . 22.8 tp -59.58 -51.07 71.39 Favored 'General case' 0 C--O 1.218 -0.591 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 171' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' B' ' 175' ' ' LEU . . . -45.52 -55.24 7.05 Favored Glycine 0 C--O 1.223 -0.546 0 C-N-CA 120.296 -0.954 . . . . 0.0 111.535 -178.458 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 172' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.4 -52.13 65.89 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.542 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 173' ' ' GLU . . . . . 0.404 ' O ' ' CB ' ' B' ' 177' ' ' ASP . 75.0 tt0 -63.24 -52.01 63.9 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.523 -179.143 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' B' ' 170' ' ' LEU . 7.9 tt -63.21 -39.94 96.08 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.494 178.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 175' ' ' LEU . . . . . 0.496 ' O ' ' HB2' ' B' ' 179' ' ' ASP . 20.6 tp -46.6 -60.01 2.64 Favored 'General case' 0 C--O 1.215 -0.721 0 C-N-CA 120.045 -0.662 . . . . 0.0 110.701 179.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -84.03 -38.5 20.8 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -177.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 177' ' ' ASP . . . . . 0.456 ' O ' ' OE1' ' B' ' 178' ' ' GLU . 53.2 t0 -57.81 -15.36 8.06 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.491 -178.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 178' ' ' GLU . . . . . 0.54 ' O ' ' N ' ' B' ' 180' ' ' SER . 0.6 OUTLIER -119.71 -36.35 3.33 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.278 179.674 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 179' ' ' ASP . . . . . 0.496 ' HB2' ' O ' ' B' ' 175' ' ' LEU . 59.6 t0 -40.98 92.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.439 -0.504 . . . . 0.0 111.091 -178.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 180' ' ' SER . . . . . 0.54 ' N ' ' O ' ' B' ' 178' ' ' GLU . 0.9 OUTLIER -168.68 -143.61 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 121.081 0.467 . . . . 0.0 110.4 -179.716 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 8.5 t -67.88 -16.11 63.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.362 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 182' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -50.14 -33.9 20.47 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.537 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 183' ' ' LEU . . . . . . . . . . . . . 7.9 mp -61.78 -40.61 95.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.569 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 184' ' ' ASP . . . . . 0.536 ' OD1' ' NH1' ' A' ' 30' ' ' ARG . 9.9 m-20 -69.74 -27.67 65.15 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.486 179.46 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -64.13 -51.18 65.17 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.552 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 186' ' ' ALA . . . . . . . . . . . . . . . -73.06 -30.96 64.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.898 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 187' ' ' ALA . . . . . . . . . . . . . . . -81.75 -55.73 4.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.989 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 188' ' ' SER . . . . . 0.474 ' N ' ' O ' ' B' ' 184' ' ' ASP . 0.9 OUTLIER -71.44 4.19 3.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.564 -179.7 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 189' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.634 -179.329 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.4 mtp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.14 152.84 23.51 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.221 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.29 147.73 51.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.469 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.0 mt -119.01 154.62 32.79 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.927 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.3 143.96 16.91 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.466 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.81 138.27 37.27 Favored 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.48 2.12 . . . . 0.0 112.042 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 mt -75.44 150.17 84.6 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.499 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.475 ' O ' ' O ' ' A' ' 9' ' ' PRO . 17.8 Cg_endo -57.38 166.06 5.02 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 122.408 2.072 . . . . 0.0 111.963 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.475 ' O ' ' O ' ' A' ' 8' ' ' PRO . 85.6 Cg_exo -39.18 168.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.313 -1.333 0 C-N-CA 123.03 2.487 . . . . 0.0 111.708 179.481 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.66 98.85 22.13 Favored Pre-proline 0 CA--C 1.537 0.443 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.91 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -48.91 157.72 1.52 Allowed 'Trans proline' 0 N--CA 1.49 1.316 0 C-N-CA 122.18 1.92 . . . . 0.0 112.08 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.12 -40.19 92.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.137 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.9 pm0 -68.15 -23.13 64.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.03 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.478 ' O ' ' N ' ' A' ' 16' ' ' SER . 18.9 m-30 -102.68 -13.9 16.91 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-O 121.302 0.572 . . . . 0.0 110.536 -179.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.2 tttp -46.89 -17.04 0.04 OUTLIER 'General case' 0 C--N 1.317 -0.834 0 C-N-CA 120.191 -0.603 . . . . 0.0 110.164 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 14' ' ' PHE . 39.1 p -70.83 -53.51 15.0 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.011 0.434 . . . . 0.0 111.061 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 29.5 pt -67.99 -3.09 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.601 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -56.45 -41.02 75.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.196 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 43.4 m80 -60.49 -44.39 96.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.057 0.456 . . . . 0.0 110.73 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.564 ' ND1' ' SG ' ' A' ' 38' ' ' CYS . 1.6 t-80 -66.8 -41.32 87.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.648 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 93.2 mt -62.24 -41.71 98.67 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.633 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.67 -41.84 99.3 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.045 0.45 . . . . 0.0 109.984 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.9 m -58.36 -43.62 88.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.211 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 28' ' ' ASP . . . -67.79 -39.49 84.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.718 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.3 mm-40 -52.81 -42.5 65.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.152 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.462 ' OE2' ' OD2' ' B' ' 179' ' ' ASP . 38.7 mt-10 -75.11 -53.42 8.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.889 0.376 . . . . 0.0 110.43 179.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.543 ' O ' ' N ' ' A' ' 31' ' ' ASP . 63.6 m80 -60.02 -18.36 45.69 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.647 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 24' ' ' ALA . 61.5 t0 -48.94 -41.38 33.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.571 -179.181 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -90.5 -9.83 45.87 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.921 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -106.69 -62.82 1.35 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.776 0.322 . . . . 0.0 110.983 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.543 ' N ' ' O ' ' A' ' 27' ' ' HIS . 73.0 m-20 -122.36 95.6 46.86 Favored Pre-proline 0 C--O 1.235 0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.157 -179.316 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -71.14 -28.21 19.13 Favored 'Trans proline' 0 N--CA 1.492 1.439 0 C-N-CA 122.264 1.976 . . . . 0.0 111.97 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 90.2 t -61.57 -47.22 94.39 Favored 'Isoleucine or valine' 0 C--O 1.239 0.513 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.539 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.8 t -67.53 -41.9 86.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.833 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.09 -39.93 91.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.747 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -60.51 -52.23 66.09 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 121.006 0.432 . . . . 0.0 110.602 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -62.99 -36.62 84.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.227 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.564 ' SG ' ' ND1' ' A' ' 20' ' ' HIS . 11.8 t -58.87 -46.28 88.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.502 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.4 mtt-85 -58.54 -41.94 86.68 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.454 ' O ' ' HG3' ' A' ' 43' ' ' MET . 7.1 tp -56.96 -43.19 81.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.885 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -59.86 -41.12 90.76 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.3 179.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.28 -59.67 4.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.527 -178.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.462 ' C ' ' SD ' ' A' ' 43' ' ' MET . 0.2 OUTLIER -52.08 -39.4 59.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.72 -178.549 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -68.92 -41.72 77.76 Favored 'General case' 0 CA--C 1.523 -0.085 0 CA-C-O 121.105 0.478 . . . . 0.0 111.042 -179.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.4 m -72.15 -41.86 66.62 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.774 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -62.42 -49.58 72.66 Favored Glycine 0 CA--C 1.522 0.52 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.814 -178.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.494 ' O ' ' O ' ' A' ' 50' ' ' ASP . 9.3 ptt? -64.83 -36.98 86.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.36 . . . . 0.0 110.434 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.5 tptt -64.11 -45.85 86.78 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.526 -179.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 56.4 mt -64.59 -48.08 86.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.961 -179.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.494 ' O ' ' O ' ' A' ' 47' ' ' MET . 91.4 m-20 -96.92 -175.77 3.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.293 -179.491 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.1 p 176.63 -24.7 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.581 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.5 mttm -136.72 86.39 2.21 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.916 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -178.0 134.05 0.33 Allowed Pre-proline 0 C--N 1.324 -0.534 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.797 179.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.78 -32.29 18.77 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 122.181 1.921 . . . . 0.0 112.255 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -59.97 -59.68 5.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.144 0.497 . . . . 0.0 110.552 -179.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.01 -36.19 76.68 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.982 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 67.9 ttt-85 -55.45 -43.57 75.55 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.175 -178.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.455 ' O ' ' OG ' ' A' ' 61' ' ' SER . 42.1 tttp -63.61 -41.51 98.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.118 179.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -60.99 -44.21 97.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.517 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.5 mt -60.78 -44.37 96.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.689 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.521 ' HG ' ' H ' ' A' ' 62' ' ' LYS . 79.3 p -56.96 -44.68 82.86 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.163 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.521 ' H ' ' HG ' ' A' ' 61' ' ' SER . 28.1 mmtm -63.45 -39.94 95.81 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.516 179.005 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.07 -46.84 89.01 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.454 -178.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 1.8 mtt -64.48 -39.24 93.44 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.515 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -59.41 -45.47 91.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.558 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -66.26 -40.65 90.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.912 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.6 mt -56.86 -44.67 82.42 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.436 -0.506 . . . . 0.0 110.945 -179.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -66.42 -42.77 87.26 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.363 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.63 -40.98 88.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.642 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.19 -47.79 84.03 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.589 -178.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 51.4 tttm -59.75 -41.52 91.16 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.462 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -63.6 -41.44 98.33 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.719 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.56 -41.25 98.8 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.817 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 84.8 mt -78.04 -3.29 41.41 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.422 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.486 ' O ' ' CB ' ' A' ' 76' ' ' ASP . . . 50.85 48.77 43.82 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.935 179.236 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.508 ' O ' ' CB ' ' A' ' 77' ' ' ASN . 6.2 m-20 91.7 -100.58 0.0 OUTLIER 'General case' 0 CA--C 1.509 -0.612 0 O-C-N 124.398 0.705 . . . . 0.0 110.051 178.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' A' ' 76' ' ' ASP . 20.7 t-20 90.01 142.33 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.645 0 O-C-N 124.049 0.843 . . . . 0.0 110.019 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -65.33 -43.49 90.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.853 -179.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.69 -28.64 65.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.228 -178.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.501 ' CD1' ' N ' ' A' ' 80' ' ' ILE . 1.5 mp -93.65 -50.38 12.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.908 0.385 . . . . 0.0 111.121 -179.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 23.6 p -61.85 -50.1 73.6 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.005 -178.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -108.93 108.67 19.51 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.535 0.683 . . . . 0.0 110.491 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -60.85 -20.54 61.98 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.399 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.422 HG21 HD13 ' A' ' 84' ' ' ILE . 25.6 mm -54.85 -54.26 25.1 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.394 -178.404 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.3 p -71.05 -31.16 44.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.347 -0.388 . . . . 0.0 109.954 178.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.1 -43.52 96.97 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -68.74 -51.62 39.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.368 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.481 ' O ' ' ND2' ' A' ' 92' ' ' ASN . . . -53.99 -36.32 62.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.219 -179.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -66.26 -47.96 72.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.011 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.47 -44.44 97.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.931 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 73.2 tt0 -66.12 -49.67 66.7 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.732 -178.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 88' ' ' ALA . 3.8 m-80 -62.45 -42.26 99.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.674 -179.526 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -62.87 -45.78 90.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.346 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.99 -40.36 97.53 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.694 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 63.5 mt -62.82 -41.78 99.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.739 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -62.4 -44.48 96.34 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.307 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 37.4 tpp -67.6 -47.68 69.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.847 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.545 ' CG ' ' NE2' ' A' ' 141' ' ' HIS . 88.3 t80 -57.84 -51.39 69.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.343 -179.212 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 92.9 mt -61.59 -41.5 97.52 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.649 -179.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -50.96 -47.02 61.3 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.88 -39.24 79.9 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.938 0.399 . . . . 0.0 110.497 178.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -62.19 -42.16 99.02 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.159 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -63.72 -41.93 97.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.448 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -65.58 -34.9 79.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.116 -179.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -62.16 -46.88 87.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.619 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.78 -36.74 79.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.011 0.434 . . . . 0.0 110.522 179.363 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.06 -13.81 40.55 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.566 -0.454 . . . . 0.0 110.08 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 83.52 33.11 23.19 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -115.39 102.73 10.1 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.672 0.272 . . . . 0.0 110.341 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -103.54 133.37 48.68 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.856 0.36 . . . . 0.0 110.261 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.413 ' ND1' ' N ' ' A' ' 111' ' ' HIS . 0.1 OUTLIER -168.92 177.6 4.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.144 0.497 . . . . 0.0 110.596 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 32.9 mtmm -67.83 -16.47 64.12 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.815 179.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -62.6 -59.16 5.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.245 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 2.4 ppp? -61.77 -34.08 75.23 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 58.4 mt -60.54 -48.74 87.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 119.952 -0.699 . . . . 0.0 109.942 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -61.34 -35.29 77.01 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.331 -178.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 72.7 m -59.51 -47.79 84.14 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.055 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -61.44 -44.84 96.41 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.756 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.416 ' O ' ' OG ' ' A' ' 122' ' ' SER . 24.8 t80 -60.03 -53.72 54.46 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.087 -179.506 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 15.0 m -55.75 -40.91 73.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.07 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -57.88 -41.81 83.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.645 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.416 ' OG ' ' O ' ' A' ' 119' ' ' TYR . 56.4 p -60.45 -42.98 97.27 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 121.205 0.526 . . . . 0.0 110.969 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.1 mp -61.62 -39.48 91.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.211 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 91.4 mt -62.39 -37.12 84.51 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.395 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 86.4 mt -61.36 -43.49 96.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.485 ' O ' ' OG1' ' A' ' 129' ' ' THR . 2.4 m-20 -58.53 -41.97 86.72 Favored 'General case' 0 C--O 1.242 0.667 0 CA-C-O 121.305 0.574 . . . . 0.0 109.871 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.538 ' CG2' ' NE2' ' A' ' 20' ' ' HIS . 60.2 t -59.17 -35.09 55.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.683 179.051 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.403 HG23 HD11 ' A' ' 128' ' ' ILE . 93.6 mt -71.25 -44.67 73.05 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.592 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.411 178.336 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.485 ' OG1' ' O ' ' A' ' 126' ' ' ASP . 68.2 p -50.43 -36.99 35.66 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.578 -177.261 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 2.1 m -48.89 -22.25 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 C-N-CA 120.445 -0.502 . . . . 0.0 111.181 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -60.38 -25.81 66.18 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.142 -178.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 90.8 12.64 60.39 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -112.43 -92.94 0.47 Allowed 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 120.866 0.365 . . . . 0.0 110.261 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 13.1 tp 66.87 103.08 0.05 OUTLIER 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.138 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.54 ' HG1' ' N ' ' A' ' 136' ' ' ASP . 0.1 OUTLIER -89.19 165.67 14.31 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 179.381 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . 0.54 ' N ' ' HG1' ' A' ' 135' ' ' THR . 1.9 m-20 -53.13 -38.36 62.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.763 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -53.13 -49.58 66.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.788 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -62.47 -39.31 93.02 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.725 0.298 . . . . 0.0 110.765 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 49.1 t -61.0 -44.46 98.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -179.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -63.81 -36.63 84.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.72 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.545 ' NE2' ' CG ' ' A' ' 98' ' ' PHE . 22.1 t-160 -59.83 -45.58 91.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.598 -179.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 30.7 ttp180 -64.11 -42.27 96.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.533 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -56.46 -40.21 74.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.041 0.448 . . . . 0.0 110.544 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -75.4 -34.76 61.09 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.499 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -63.04 -46.17 88.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.173 -179.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 50.1 ptt85 -70.33 -40.92 73.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.589 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 9.4 t90 -59.95 -52.42 65.46 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 120.991 0.424 . . . . 0.0 110.562 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 8.2 tptp -59.43 -56.63 19.6 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.244 -178.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -47.4 -45.57 25.47 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.949 0.404 . . . . 0.0 111.248 -179.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 75.2 p -66.97 -43.99 81.63 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.393 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . 0.489 ' O ' ' SG ' ' A' ' 155' ' ' CYS . 51.8 t80 -55.46 -44.81 76.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.57 -178.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . 0.401 HG23 HD13 ' A' ' 152' ' ' ILE . 38.6 mm -64.38 -43.98 97.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.641 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . 0.516 ' CD2' ' HZ1' ' A' ' 157' ' ' LYS . 5.3 t60 -64.92 -44.86 88.14 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.806 -178.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -65.08 -40.14 94.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.943 0.402 . . . . 0.0 111.014 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . 0.489 ' SG ' ' O ' ' A' ' 151' ' ' TYR . 91.8 m -64.75 -40.4 95.24 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.351 -179.114 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.432 ' CD2' ' C ' ' A' ' 156' ' ' LEU . 7.8 tt -61.81 -44.09 97.55 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.579 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.516 ' HZ1' ' CD2' ' A' ' 153' ' ' HIS . 91.4 mttt -61.45 -40.5 94.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.099 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -79.98 -22.87 42.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.821 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 75.5 49.62 9.0 Favored Glycine 0 CA--C 1.529 0.92 0 N-CA-C 110.639 -0.984 . . . . 0.0 110.639 -179.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -121.19 135.38 55.16 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.952 0.406 . . . . 0.0 110.981 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 18.7 m -64.33 115.98 24.3 Favored Pre-proline 0 CA--C 1.535 0.404 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.604 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -75.94 147.7 30.86 Favored 'Trans proline' 0 N--CA 1.493 1.459 0 C-N-CA 122.287 1.992 . . . . 0.0 112.161 -179.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 . . . . . 0 C--N 1.331 -0.204 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.245 179.657 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.398 0 N-CA-C 110.37 -1.092 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 1.1 p -132.64 152.76 80.52 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 120.723 0.297 . . . . 0.0 110.407 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -67.22 -179.22 1.71 Allowed 'Trans proline' 0 N--CA 1.494 1.5 0 C-N-CA 122.801 2.334 . . . . 0.0 111.817 179.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 157' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -80.26 96.08 6.5 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 20.5 mt -104.6 126.45 51.7 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.726 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 159' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' B' ' 160' ' ' GLU . 65.0 t0 -86.37 132.13 34.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.122 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 160' ' ' GLU . . . . . 0.433 ' N ' ' OD1' ' B' ' 159' ' ' ASP . 14.2 pt-20 -59.51 -35.85 74.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.011 -179.524 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 161' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -64.28 -57.11 10.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.395 0.617 . . . . 0.0 110.651 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 162' ' ' ASP . . . . . 0.419 ' O ' ' CG ' ' B' ' 166' ' ' GLU . 98.5 m-20 -63.18 -41.27 99.19 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.264 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 47.0 tp -52.4 -44.98 65.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.862 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 71.0 tt0 -69.41 -33.42 72.97 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.549 -179.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 165' ' ' ALA . . . . . . . . . . . . . . . -62.27 -45.89 91.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.241 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 166' ' ' GLU . . . . . 0.419 ' CG ' ' O ' ' B' ' 162' ' ' ASP . 0.0 OUTLIER -66.88 -47.82 70.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.439 -179.445 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.34 -48.3 79.35 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.206 -0.597 . . . . 0.0 110.313 -178.258 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 168' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -55.79 -47.67 76.68 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.282 -178.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 169' ' ' ALA . . . . . 0.41 ' CB ' ' HZ2' ' A' ' 157' ' ' LYS . . . -57.87 -46.07 85.4 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 38.2 tp -60.86 -43.94 97.69 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -49.08 -43.33 32.08 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.392 -1.083 . . . . 0.0 110.392 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 172' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -61.48 -48.71 79.86 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 121.608 0.718 . . . . 0.0 110.326 179.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -58.6 -42.76 88.87 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.749 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -68.5 -32.38 72.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.307 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 3.2 tp -56.05 -41.08 74.48 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 176' ' ' ALA . . . . . 0.56 ' O ' ' O ' ' B' ' 177' ' ' ASP . . . -60.67 -34.29 74.09 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.169 -0.613 . . . . 0.0 110.818 179.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 177' ' ' ASP . . . . . 0.56 ' O ' ' O ' ' B' ' 176' ' ' ALA . 4.1 t70 49.01 120.82 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.3 0.571 . . . . 0.0 111.172 179.409 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 178' ' ' GLU . . . . . 0.484 ' N ' ' CD ' ' B' ' 178' ' ' GLU . 1.6 pm0 -135.63 28.47 3.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.529 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 179' ' ' ASP . . . . . 0.462 ' OD2' ' OE2' ' A' ' 26' ' ' GLU . 29.1 p-10 -43.69 168.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.682 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 180' ' ' SER . . . . . . . . . . . . . 6.6 t -170.1 -142.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.259 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 17.3 p -61.18 -18.76 59.85 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.185 0.517 . . . . 0.0 110.303 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 182' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -52.86 -35.03 57.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.649 179.428 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 183' ' ' LEU . . . . . . . . . . . . . 25.5 mt -59.63 -43.17 93.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.972 -177.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 184' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -66.26 -32.26 73.58 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.43 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 185' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' B' ' 189' ' ' ALA . 0.2 OUTLIER -60.6 -52.66 64.21 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 121.036 0.445 . . . . 0.0 110.406 -179.595 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 186' ' ' ALA . . . . . . . . . . . . . . . -64.51 -36.89 85.67 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.986 -179.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 187' ' ' ALA . . . . . . . . . . . . . . . -75.33 -39.1 59.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.344 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 188' ' ' SER . . . . . . . . . . . . . 31.0 m -101.65 18.79 19.45 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.434 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 189' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' B' ' 185' ' ' GLU . . . . . . . . 0 CA--C 1.539 0.546 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.123 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.6 ttm . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.538 ' O ' ' NE2' ' A' ' 73' ' ' GLN . . . -154.71 155.64 34.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.508 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -100.83 140.2 35.44 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.467 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.2 mt -76.97 148.7 36.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.486 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.2 152.03 78.83 Favored Pre-proline 0 CA--C 1.538 0.488 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.373 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -65.94 146.98 84.25 Favored 'Trans proline' 0 N--CA 1.497 1.694 0 C-N-CA 122.517 2.144 . . . . 0.0 111.543 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 64.7 mt -99.63 145.04 29.43 Favored Pre-proline 0 CA--C 1.537 0.456 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.726 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -65.44 169.14 13.08 Favored 'Trans proline' 0 N--CA 1.499 1.799 0 C-N-CA 122.742 2.295 . . . . 0.0 112.472 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -45.11 140.54 7.4 Favored 'Trans proline' 0 N--CA 1.491 1.344 0 C-N-CA 122.081 1.854 . . . . 0.0 111.43 179.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 tt -95.29 114.26 63.4 Favored Pre-proline 0 CA--C 1.537 0.479 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.23 -179.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -74.14 150.26 42.37 Favored 'Trans proline' 0 N--CA 1.495 1.611 0 C-N-CA 121.75 1.634 . . . . 0.0 112.105 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.35 -20.22 1.64 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.251 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -53.41 -35.52 60.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.688 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -109.88 36.14 3.11 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.03 0.443 . . . . 0.0 110.994 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 56.5 tttp -68.84 -30.66 69.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.995 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.2 m -65.88 -48.39 71.67 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.688 -179.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 42.5 pt -81.48 -13.91 12.53 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 CA-C-O 121.092 0.473 . . . . 0.0 110.578 -179.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.402 ' OE1' ' N ' ' A' ' 19' ' ' HIS . 6.4 tm0? -51.23 -41.24 60.17 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.747 -178.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.402 ' N ' ' OE1' ' A' ' 18' ' ' GLN . 2.6 m-70 -56.43 -39.13 72.57 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.729 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.619 ' ND1' ' SG ' ' A' ' 38' ' ' CYS . 0.2 OUTLIER -68.74 -37.52 79.48 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.649 179.455 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.6 mt -61.9 -43.9 97.9 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.566 -0.453 . . . . 0.0 111.006 -178.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.425 ' HE ' ' N ' ' A' ' 22' ' ' ARG . 1.6 mmp_? -66.22 -42.11 89.14 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-O 121.427 0.632 . . . . 0.0 110.142 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.438 HG22 ' HD1' ' A' ' 27' ' ' HIS . 33.1 m -62.44 -43.39 98.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.897 179.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 28' ' ' ASP . . . -60.78 -48.79 80.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.616 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.487 ' NE2' HH21 ' A' ' 39' ' ' ARG . 61.9 mm-40 -50.08 -46.13 53.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.685 -179.462 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -70.14 -52.17 25.64 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.636 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.545 ' O ' ' N ' ' A' ' 31' ' ' ASP . 3.5 m80 -61.01 -24.84 66.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.079 -179.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 24' ' ' ALA . 33.7 t0 -61.31 -41.19 96.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.78 0.324 . . . . 0.0 110.242 179.449 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.2 tptt -65.54 -44.55 86.52 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.229 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -84.17 -64.43 1.16 Allowed 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.304 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.545 ' N ' ' O ' ' A' ' 27' ' ' HIS . 5.5 m-20 -113.63 102.79 55.18 Favored Pre-proline 0 CA--C 1.54 0.591 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.88 -179.185 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -70.62 -28.14 21.5 Favored 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 121.739 1.626 . . . . 0.0 112.216 -178.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 57.3 t -62.81 -46.91 95.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.698 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 60.5 t -64.22 -45.38 96.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.23 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.28 -36.85 85.03 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.444 -0.503 . . . . 0.0 110.789 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -57.77 -55.3 36.67 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.062 0.458 . . . . 0.0 110.915 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -63.19 -31.17 72.25 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.72 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.619 ' SG ' ' ND1' ' A' ' 20' ' ' HIS . 7.3 t -60.58 -49.42 77.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.268 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.487 HH21 ' NE2' ' A' ' 25' ' ' GLN . 4.3 mpt_? -60.87 -39.54 89.55 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 tt -57.11 -45.78 83.17 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 119.952 -0.699 . . . . 0.0 110.079 -179.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.434 ' CE1' ' OG1' ' A' ' 45' ' ' THR . 10.3 t80 -56.53 -47.82 78.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.967 0.413 . . . . 0.0 110.491 179.237 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.25 -51.88 67.57 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.933 -178.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.456 ' C ' ' SD ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -51.0 -63.72 1.04 Allowed 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 120.79 0.328 . . . . 0.0 111.351 -179.365 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -57.7 -37.75 74.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.835 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.434 ' OG1' ' CE1' ' A' ' 41' ' ' TYR . 91.2 m -69.16 -42.65 75.62 Favored 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 120.302 -0.559 . . . . 0.0 111.232 -179.175 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.06 -36.16 91.89 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.529 ' HG2' ' N ' ' A' ' 48' ' ' LYS . 2.2 ptm -66.16 -43.12 87.86 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-O 120.921 0.391 . . . . 0.0 110.221 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.529 ' N ' ' HG2' ' A' ' 47' ' ' MET . 95.9 mttt -64.2 -42.97 96.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.247 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 72.2 mt -64.83 -50.06 77.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 120.436 -0.506 . . . . 0.0 111.573 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 47' ' ' MET . 1.9 m-20 -94.69 -178.09 4.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.372 -179.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 57.7 m -166.31 -46.05 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.885 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -122.91 98.47 5.92 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -171.83 128.57 0.64 Allowed Pre-proline 0 C--N 1.324 -0.538 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.518 178.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -69.99 -33.94 14.75 Favored 'Trans proline' 0 N--CA 1.495 1.578 0 C-N-CA 121.698 1.599 . . . . 0.0 112.051 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.5 -46.12 84.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.043 0.449 . . . . 0.0 110.055 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 76.7 m -67.61 -37.54 82.67 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.193 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -59.09 -46.81 87.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.609 -179.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.5 ttpt -71.81 -39.73 69.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.262 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -58.46 -44.84 89.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.128 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 22.7 mt -64.06 -42.32 97.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.81 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.7 t -59.5 -43.89 93.25 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.697 -179.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.407 ' CB ' ' HZ3' ' A' ' 62' ' ' LYS . 0.2 OUTLIER -63.26 -43.66 97.35 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.425 -179.894 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.5 tp -61.84 -38.97 90.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.027 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 43.1 ttp -58.74 -44.73 90.58 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -61.33 -38.43 86.84 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.264 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -65.93 -40.39 91.38 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.474 -0.49 . . . . 0.0 111.034 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.2 mt -58.87 -58.46 8.51 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.632 0.253 . . . . 0.0 111.37 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -62.44 -37.16 84.81 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.077 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.95 -49.15 77.78 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.459 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.13 -47.78 84.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.226 -178.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -57.59 -32.13 66.87 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.45 -0.5 . . . . 0.0 109.809 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.3 tptt -63.09 -44.36 95.93 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.701 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.538 ' NE2' ' O ' ' A' ' 2' ' ' ALA . 26.6 mt-30 -61.99 -45.21 94.6 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.985 0.421 . . . . 0.0 110.723 -179.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.518 ' O ' ' N ' ' A' ' 76' ' ' ASP . 45.2 mt -65.38 -29.75 70.5 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.272 -179.483 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 49.2 -84.2 0.01 OUTLIER Glycine 0 CA--C 1.524 0.653 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.065 179.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 74' ' ' LEU . 85.6 m-20 -94.95 81.15 3.7 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -178.195 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.418 HD21 HD11 ' A' ' 74' ' ' LEU . 60.5 t-20 -134.11 121.19 21.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.211 0.529 . . . . 0.0 110.795 179.165 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.515 ' C ' ' H ' ' A' ' 80' ' ' ILE . 21.9 mt-10 -71.77 -37.33 70.5 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.742 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.48 4.64 0.23 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.178 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.515 ' H ' ' C ' ' A' ' 78' ' ' GLU . 10.0 mm -134.3 -48.39 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 40.6 p -65.42 -41.82 93.17 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.467 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -109.28 109.1 19.92 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.322 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -21.33 57.02 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.63 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 58.3 mt -56.06 -56.05 15.05 Favored 'Isoleucine or valine' 0 C--O 1.238 0.493 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.227 -178.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.6 p -73.94 -34.26 38.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.072 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.53 ' O ' ' ND1' ' A' ' 89' ' ' HIS . . . -57.52 -44.95 93.6 Favored Glycine 0 CA--C 1.52 0.375 0 N-CA-C 110.454 -1.059 . . . . 0.0 110.454 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 12.6 t -66.71 -48.37 69.44 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.579 179.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.71 -44.94 82.06 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.938 -179.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.53 ' ND1' ' O ' ' A' ' 86' ' ' GLY . 0.0 OUTLIER -59.56 -43.0 93.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.255 179.874 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.85 -45.14 95.08 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.413 -178.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -66.93 -41.5 86.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -63.78 -47.31 81.42 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 121.029 -0.268 . . . . 0.0 111.254 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -64.15 -45.12 89.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.896 0.379 . . . . 0.0 110.702 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.98 -41.94 90.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 29.8 tp -62.89 -45.0 94.6 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.271 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -61.53 -40.06 93.31 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.659 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 29.7 tpp -63.67 -50.05 70.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.975 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -59.63 -47.52 85.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -178.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -59.44 -40.94 88.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.499 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -59.08 -47.51 85.0 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.199 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.86 -44.44 73.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.022 0.439 . . . . 0.0 110.941 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -62.25 -40.09 95.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.368 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -63.25 -41.22 99.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.729 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -62.42 -37.98 87.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.461 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -62.17 -47.98 82.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.95 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 56.3 ttp180 -63.44 -40.82 98.17 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.429 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.38 -6.11 3.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.714 -179.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 75.19 30.08 59.41 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 179.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.569 ' O ' ' SD ' ' A' ' 114' ' ' MET . 0.9 OUTLIER -106.67 111.51 24.09 Favored 'General case' 0 C--O 1.222 -0.391 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.751 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -100.32 135.07 42.32 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.25 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -164.79 149.99 9.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.14 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 46.6 pttt -59.76 -34.73 73.36 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 120.961 0.41 . . . . 0.0 110.978 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -55.44 -35.63 65.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.158 -179.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.569 ' SD ' ' O ' ' A' ' 109' ' ' ARG . 71.0 mtp -62.28 -42.05 99.02 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.791 -179.56 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 81.1 mt -60.96 -48.47 88.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.063 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -64.16 -34.91 79.15 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.261 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 6.5 t -61.05 -45.91 92.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.91 -179.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -64.28 -40.76 96.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.588 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -60.54 -50.24 74.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.024 0.44 . . . . 0.0 110.187 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 18.8 m -57.9 -41.59 82.91 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.292 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -57.08 -45.07 83.63 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.123 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 39.1 p -60.26 -42.13 94.7 Favored 'General case' 0 C--O 1.244 0.808 0 CA-C-O 121.278 0.561 . . . . 0.0 111.645 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 62.9 mt -59.98 -39.88 87.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.729 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 97.8 mt -62.13 -41.22 98.05 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.104 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 28.5 mm -55.38 -44.71 76.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.067 -0.653 . . . . 0.0 109.359 -179.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.413 ' O ' ' OG1' ' A' ' 129' ' ' THR . 3.1 t70 -58.44 -43.32 88.72 Favored 'General case' 0 C--O 1.25 1.119 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.191 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.406 ' O ' ' CG2' ' A' ' 130' ' ' VAL . 67.5 t -58.19 -28.77 35.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.617 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 70.5 mt -77.23 -44.16 30.89 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.16 0 CA-C-O 121.06 0.457 . . . . 0.0 110.539 178.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 132' ' ' GLY . 82.6 p -49.89 -34.03 19.0 Favored 'General case' 0 CA--C 1.516 -0.361 0 C-N-CA 120.201 -0.6 . . . . 0.0 110.429 -178.191 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.406 ' CG2' ' O ' ' A' ' 127' ' ' VAL . 5.4 m -41.41 -32.93 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 C-N-CA 120.155 -0.618 . . . . 0.0 111.122 179.241 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -63.01 -41.5 99.59 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.271 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 129' ' ' THR . . . 104.15 -32.75 7.2 Favored Glycine 0 N--CA 1.465 0.581 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -85.45 66.43 9.68 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.77 0.319 . . . . 0.0 110.155 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 21.2 tp -86.4 122.18 30.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.261 -179.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.2 t -86.99 157.82 19.38 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.129 0.49 . . . . 0.0 111.0 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -56.63 -34.57 67.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.393 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 -48.23 -48.84 34.87 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.679 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -66.52 -39.4 88.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.423 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 58.1 t -59.98 -44.43 94.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.384 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.18 -41.0 70.89 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.584 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 3.4 m170 -66.82 -48.86 67.62 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.638 -178.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . 0.411 HH11 HH11 ' A' ' 146' ' ' ARG . 5.5 ppt_? -62.51 -38.06 88.46 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.345 -179.034 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -64.3 -40.19 95.43 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.94 0.4 . . . . 0.0 110.815 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -73.69 -40.13 63.86 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.688 -179.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -62.23 -42.21 99.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.32 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . 0.411 HH11 HH11 ' A' ' 142' ' ' ARG . 61.1 mtp180 -66.69 -40.88 88.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.451 179.526 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 22.7 t90 -62.48 -49.93 73.44 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.789 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 4.9 mmtm -63.35 -39.84 95.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.102 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -55.83 -53.13 60.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.603 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 62.0 p -71.8 -38.8 70.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.584 -179.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . 0.505 ' O ' ' SG ' ' A' ' 155' ' ' CYS . 62.3 t80 -51.07 -53.58 32.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.94 -178.554 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 57.9 mt -70.13 -45.39 76.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.52 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . 0.669 ' ND1' ' N ' ' A' ' 154' ' ' ASN . 0.0 OUTLIER -57.85 -57.18 13.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.801 -179.496 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' ASN . . . . . 0.669 ' N ' ' ND1' ' A' ' 153' ' ' HIS . 0.3 OUTLIER -59.78 -39.97 86.71 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.103 -178.489 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . 0.505 ' SG ' ' O ' ' A' ' 151' ' ' TYR . 56.3 m -58.06 -36.33 72.64 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 119.654 -0.818 . . . . 0.0 109.264 179.4 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -64.61 -42.6 95.43 Favored 'General case' 0 N--CA 1.436 -1.169 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.709 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 53.7 mmtt -63.92 -41.86 97.54 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.398 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -73.5 -15.91 61.3 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.58 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 81.1 45.73 7.41 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.56 -1.016 . . . . 0.0 110.56 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -120.13 142.64 48.74 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.725 0.297 . . . . 0.0 110.39 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 28.5 m -84.22 116.64 65.88 Favored Pre-proline 0 CA--C 1.544 0.74 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.925 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -54.43 153.28 23.29 Favored 'Trans proline' 0 N--CA 1.503 2.043 0 C-N-CA 121.909 1.739 . . . . 0.0 112.615 179.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 . . . . . 0 N--CA 1.464 0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.383 179.614 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.604 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.42 162.25 50.55 Favored Pre-proline 0 CA--C 1.535 0.386 0 CA-C-O 120.672 0.272 . . . . 0.0 110.481 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -66.73 -159.64 0.04 OUTLIER 'Trans proline' 0 N--CA 1.494 1.512 0 C-N-CA 122.439 2.092 . . . . 0.0 111.593 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 157' ' ' GLU . . . . . 0.491 ' CD ' ' H ' ' B' ' 157' ' ' GLU . 2.1 pm0 -102.3 115.09 29.84 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -121.46 140.54 52.04 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 -179.257 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -79.64 144.14 34.04 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.076 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 160' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.14 -39.11 88.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.838 0.352 . . . . 0.0 110.97 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 161' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -64.45 -48.62 74.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.032 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 162' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -61.19 -37.12 81.8 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.596 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 12.2 mt -60.01 -43.25 95.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.245 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -63.98 -36.42 83.92 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.32 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 165' ' ' ALA . . . . . . . . . . . . . . . -59.01 -48.73 80.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.29 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.62 -43.86 83.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.818 -178.68 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.46 -54.05 50.16 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.892 -178.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 168' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -52.16 -47.58 65.38 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.196 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -61.84 -47.52 84.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.401 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 7.5 tt -56.66 -44.77 81.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.35 -178.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -59.98 -41.01 97.7 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 172' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -59.72 -43.76 94.01 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.489 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -63.19 -48.61 77.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.325 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 10.4 mp -64.51 -35.76 82.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.261 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 5.2 tp -59.5 -46.0 90.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.099 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -66.67 -36.7 83.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.544 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 177' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -64.56 145.87 55.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.315 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 178' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -123.7 27.69 7.23 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.947 0.403 . . . . 0.0 110.242 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 179' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -65.03 151.49 45.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.423 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 180' ' ' SER . . . . . . . . . . . . . 63.2 m -149.82 -16.51 0.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.981 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 20.4 t -63.02 -19.68 64.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.133 0.492 . . . . 0.0 110.313 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 182' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -56.51 -32.96 65.57 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.9 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 183' ' ' LEU . . . . . . . . . . . . . 89.7 mt -60.62 -43.48 97.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.399 -178.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 184' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -67.55 -33.79 75.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.092 0.473 . . . . 0.0 110.485 178.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -62.58 -55.64 25.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.549 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 186' ' ' ALA . . . . . . . . . . . . . . . -59.89 -38.27 81.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.107 0.479 . . . . 0.0 110.412 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 187' ' ' ALA . . . . . . . . . . . . . . . -73.23 -15.8 61.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.481 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 188' ' ' SER . . . . . . . . . . . . . 9.7 p -63.52 -17.59 62.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.115 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 189' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.465 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.114 -179.324 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mtt . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -130.34 138.67 50.54 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.199 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -107.45 123.2 48.05 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.39 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.465 ' N ' ' CD1' ' A' ' 4' ' ' LEU . 9.4 mp -69.32 168.99 13.13 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.671 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.94 154.48 68.05 Favored Pre-proline 0 N--CA 1.446 -0.658 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.148 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_exo -61.36 148.37 93.11 Favored 'Trans proline' 0 N--CA 1.501 1.922 0 C-N-CA 122.566 2.177 . . . . 0.0 112.199 179.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.2 mt -79.43 151.15 74.58 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.922 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo -56.54 167.38 2.84 Favored 'Trans proline' 0 N--CA 1.497 1.729 0 C-N-CA 122.586 2.191 . . . . 0.0 111.982 179.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -36.24 143.67 0.1 Allowed 'Trans proline' 0 C--N 1.313 -1.309 0 C-N-CA 122.912 2.408 . . . . 0.0 111.582 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.5 tp -102.95 106.82 52.57 Favored Pre-proline 0 CA--C 1.541 0.6 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.918 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -48.92 165.54 0.18 Allowed 'Trans proline' 0 N--CA 1.491 1.355 0 C-N-CA 122.335 2.024 . . . . 0.0 112.216 178.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.24 -41.39 61.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.783 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.41 -12.58 0.72 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.858 -179.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -109.83 24.33 13.19 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.35 0.595 . . . . 0.0 110.727 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.92 -32.78 74.66 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.42 178.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.8 p -64.15 -48.05 77.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.833 0.349 . . . . 0.0 111.791 -179.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 44.8 pt -76.4 -16.23 15.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.521 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -45.34 -46.39 12.98 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.528 -179.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.462 ' CD2' ' HH ' ' A' ' 119' ' ' TYR . 58.9 m80 -59.4 -43.35 92.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.971 0.415 . . . . 0.0 110.887 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 75.8 m80 -62.5 -41.61 98.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.925 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.0 mt -62.79 -47.57 82.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.806 0.336 . . . . 0.0 111.301 -178.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 50.0 mmm-85 -67.65 -37.33 82.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.859 0.361 . . . . 0.0 110.264 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 63.2 m -61.4 -43.95 97.99 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.182 179.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.531 ' O ' ' N ' ' A' ' 28' ' ' ASP . . . -66.86 -41.19 87.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.577 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -52.09 -46.78 65.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.496 -179.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -67.84 -46.01 73.01 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.642 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.568 ' O ' ' N ' ' A' ' 31' ' ' ASP . 0.8 OUTLIER -69.74 -22.95 63.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.544 179.81 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.531 ' N ' ' O ' ' A' ' 24' ' ' ALA . 55.2 t0 -58.95 -47.53 84.75 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.588 -179.436 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -63.5 -46.24 87.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.03 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 56.2 ttt85 -83.35 -62.3 1.62 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.903 0.382 . . . . 0.0 111.205 -179.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.568 ' N ' ' O ' ' A' ' 27' ' ' HIS . 28.7 m-20 -107.98 94.61 13.06 Favored Pre-proline 0 CA--C 1.54 0.566 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.18 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -69.21 -31.41 23.02 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 122.117 1.878 . . . . 0.0 111.978 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 69.3 t -65.49 -46.83 88.76 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.07 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 85.1 t -62.28 -43.98 98.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.949 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.49 -40.28 94.01 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.557 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -54.48 -50.79 66.93 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -65.76 -40.0 91.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.427 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 10.9 t -58.62 -45.93 88.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.574 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -58.74 -41.96 87.72 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 tp -56.05 -44.27 78.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.087 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -57.73 -46.03 85.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.093 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.49 -53.42 58.27 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.674 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.467 ' SD ' ' SD ' ' A' ' 47' ' ' MET . 10.3 tmm? -52.94 -46.91 68.37 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 120.855 0.36 . . . . 0.0 110.686 -179.175 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -58.51 -44.87 89.66 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.723 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.6 m -74.76 -24.83 58.75 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.761 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -71.54 -52.45 12.66 Favored Glycine 0 CA--C 1.527 0.795 0 C-N-CA 121.064 -0.588 . . . . 0.0 111.819 -179.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.467 ' SD ' ' SD ' ' A' ' 43' ' ' MET . 6.1 ptt? -65.65 -34.36 78.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.689 0.28 . . . . 0.0 110.263 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -61.64 -46.09 91.26 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.608 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 79.6 mt -71.16 -51.59 33.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.005 0.431 . . . . 0.0 111.105 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.79 118.4 5.68 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.024 -178.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.7 m -111.38 -68.84 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.219 179.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp -132.51 101.62 5.4 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.216 0.531 . . . . 0.0 109.971 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -178.93 101.86 0.2 Allowed Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.378 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -52.22 -35.16 62.3 Favored 'Trans proline' 0 N--CA 1.496 1.67 0 C-N-CA 122.443 2.096 . . . . 0.0 112.505 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -55.36 -56.97 14.01 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.652 0.739 . . . . 0.0 110.401 -179.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 92.8 m -64.64 -28.78 69.85 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.551 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 -58.68 -49.43 77.6 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 121.032 0.444 . . . . 0.0 110.68 -179.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.88 -42.21 88.95 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.048 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -57.17 -45.88 83.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.648 -179.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -61.63 -42.21 98.56 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.642 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 69.8 m -57.75 -42.01 83.11 Favored 'General case' 0 C--N 1.316 -0.884 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.036 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.6 tptt -64.14 -43.4 95.35 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.333 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 45.9 tp -62.79 -41.58 99.33 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.283 -179.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 36.9 ttm -63.67 -39.56 94.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.827 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -62.17 -38.87 90.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.234 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -62.64 -43.4 98.9 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.165 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.4 mt -59.84 -44.25 94.17 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.356 -0.537 . . . . 0.0 110.415 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -64.36 -41.2 96.85 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.37 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.93 -41.84 86.35 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.415 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.37 -42.93 99.51 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.223 0.535 . . . . 0.0 110.001 -178.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.96 -45.48 93.46 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.534 0.683 . . . . 0.0 109.786 -179.422 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -61.17 -39.54 90.51 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.609 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -56.48 -50.49 71.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.515 -179.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 72.1 mt -68.7 -30.82 69.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.712 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.425 ' O ' ' OD1' ' A' ' 76' ' ' ASP . . . 88.7 -80.92 1.57 Allowed Glycine 0 CA--C 1.521 0.462 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' A' ' 75' ' ' GLY . 0.8 OUTLIER -150.58 66.71 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.785 -179.699 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 -74.73 136.44 41.77 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -59.51 -40.5 87.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.903 0.382 . . . . 0.0 110.983 -179.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.99 -32.66 74.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.324 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 44.5 mm -92.59 -47.17 14.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.843 0.354 . . . . 0.0 111.049 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 40.9 p -62.13 -41.36 98.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.45 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -115.15 113.99 24.7 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-O 121.28 0.562 . . . . 0.0 110.336 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.52 ' O ' ' SG ' ' A' ' 87' ' ' CYS . 18.0 pt-20 -60.73 -31.47 70.77 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.631 -179.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 65.6 mt -50.26 -60.56 0.8 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.531 0 CA-C-O 121.03 0.443 . . . . 0.0 111.747 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -68.19 -34.29 65.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -60.36 -37.38 93.03 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 -179.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.604 ' SG ' ' CE1' ' A' ' 131' ' ' PHE . 68.1 m -68.32 -50.23 54.87 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.418 ' O ' ' ND2' ' A' ' 92' ' ' ASN . . . -52.59 -45.36 66.48 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.693 -179.282 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 49.8 t60 -64.29 -46.16 84.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.186 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.61 -42.3 98.69 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.494 -178.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -66.57 -44.79 81.33 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.193 -179.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.418 ' ND2' ' O ' ' A' ' 88' ' ' ALA . 2.1 m-80 -62.4 -42.38 99.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.818 -179.388 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -63.77 -44.41 93.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.65 -43.16 99.37 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.796 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.0 tt -65.02 -43.44 92.45 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.39 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -55.84 -42.97 76.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.985 -179.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 40.1 tpp -65.37 -47.04 77.78 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.636 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.647 ' CD2' ' NE2' ' A' ' 141' ' ' HIS . 69.9 t80 -64.07 -60.03 3.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.965 -179.354 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.56 -43.13 24.97 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.586 -179.089 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -59.14 -45.94 89.66 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.591 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -70.77 -47.32 60.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.059 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -62.79 -40.39 97.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.86 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -62.56 -44.28 96.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.856 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.76 -39.38 87.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.028 0.442 . . . . 0.0 110.161 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -56.7 -43.87 80.94 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.092 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 57.5 ttp180 -61.99 -43.41 98.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.117 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.06 -4.8 3.8 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.475 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 82.78 22.5 57.85 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -94.33 102.14 14.12 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.867 0.365 . . . . 0.0 110.696 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -106.38 134.87 48.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.202 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -166.36 173.19 10.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.381 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -63.53 -31.09 72.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.242 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -58.33 -34.3 70.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.275 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 3.6 mmm -60.75 -43.57 97.79 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 33.6 mm -62.82 -48.74 86.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.32 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 33.6 mmtt -58.29 -42.74 87.28 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.135 -179.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.434 ' OG ' ' N ' ' A' ' 118' ' ' PHE . 54.1 p -58.23 -58.74 7.14 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.561 -0.455 . . . . 0.0 111.418 -178.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.434 ' N ' ' OG ' ' A' ' 117' ' ' SER . 45.9 m-85 -56.75 -43.41 80.72 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.954 -179.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.462 ' HH ' ' CD2' ' A' ' 19' ' ' HIS . 58.0 t80 -57.7 -55.89 28.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.523 0.677 . . . . 0.0 110.024 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 86.3 m -61.35 -38.97 88.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.207 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -54.66 -46.32 74.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.588 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.405 ' OG ' ' O ' ' A' ' 119' ' ' TYR . 82.0 p -61.09 -44.27 97.62 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.068 0.461 . . . . 0.0 110.567 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.5 mp -62.24 -40.66 96.9 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.003 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 52.4 mt -59.74 -40.53 88.38 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-O 121.582 0.706 . . . . 0.0 110.35 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 3.5 mm -62.16 -41.69 92.27 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.276 0 C-N-CA 120.164 -0.614 . . . . 0.0 110.658 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.405 ' O ' ' OG1' ' A' ' 129' ' ' THR . 96.0 m-20 -58.58 -45.27 89.39 Favored 'General case' 0 C--O 1.243 0.742 0 CA-C-O 121.076 0.465 . . . . 0.0 111.715 -178.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.425 ' O ' ' CG2' ' A' ' 130' ' ' VAL . 0.7 OUTLIER -63.59 -31.84 54.49 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.698 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.326 179.648 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 76.4 mt -72.21 -47.92 51.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.771 0.796 . . . . 0.0 110.334 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.527 ' O ' ' N ' ' A' ' 131' ' ' PHE . 68.9 p -50.31 -38.53 42.03 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.745 -178.114 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.425 ' CG2' ' O ' ' A' ' 127' ' ' VAL . 2.5 m -44.08 -15.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 C-N-CA 119.919 -0.712 . . . . 0.0 111.464 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.604 ' CE1' ' SG ' ' A' ' 87' ' ' CYS . 13.2 m-85 -62.83 -9.73 10.6 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.137 -178.363 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 111.06 -68.6 0.22 Allowed Glycine 0 CA--C 1.519 0.313 0 N-CA-C 111.609 -0.597 . . . . 0.0 111.609 179.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.525 ' OE1' ' N ' ' A' ' 133' ' ' GLU . 56.4 mp0 -123.08 127.9 49.38 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-O 120.978 0.418 . . . . 0.0 111.026 -178.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 12.2 tp -125.18 158.67 33.4 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.322 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.428 ' HG1' ' H ' ' A' ' 137' ' ' GLU . 3.0 t -76.7 150.04 36.35 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.452 0.644 . . . . 0.0 110.613 179.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -60.24 -35.4 75.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.346 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.428 ' H ' ' HG1' ' A' ' 135' ' ' THR . 1.6 tm-20 -46.87 -42.0 16.7 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.488 0.661 . . . . 0.0 109.952 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -73.3 -35.56 66.14 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.744 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 40.7 t -57.56 -55.75 19.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.299 -178.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -62.32 -37.31 85.11 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.454 -0.498 . . . . 0.0 109.834 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.647 ' NE2' ' CD2' ' A' ' 98' ' ' PHE . 52.2 t-80 -54.48 -45.99 73.31 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . 0.498 ' NH1' ' CZ ' ' A' ' 146' ' ' ARG . 78.6 ttt-85 -60.5 -44.04 96.4 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.329 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -61.53 -38.48 87.56 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.392 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . 0.493 ' OH ' ' OG1' ' B' ' 155' ' ' THR . 2.7 m-85 -72.49 -41.72 65.66 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.694 -179.177 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -59.56 -44.87 93.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.756 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . 0.498 ' CZ ' ' NH1' ' A' ' 142' ' ' ARG . 77.8 mtm180 -66.01 -43.74 86.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.74 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -59.89 -47.42 85.84 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.354 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -60.57 -41.52 94.77 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.522 -178.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.56 -47.07 87.0 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.131 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 59.1 p -71.71 -43.72 65.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.49 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -53.99 -51.19 64.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.765 -178.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 52.3 mt -64.33 -45.16 96.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.278 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 50.4 t60 -60.25 -45.82 91.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.267 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -66.68 -36.62 82.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.834 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.87 -63.26 1.21 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.085 -179.084 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.5 pp -61.14 -29.84 70.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.074 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -59.55 -42.22 91.9 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.432 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -82.01 -12.02 58.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.11 -179.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 85.46 43.82 6.4 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -117.59 141.04 48.84 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.079 0.466 . . . . 0.0 110.988 -179.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 1.5 m -66.65 128.7 93.98 Favored Pre-proline 0 CA--C 1.54 0.575 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.176 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -63.32 137.92 63.31 Favored 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 121.826 1.684 . . . . 0.0 112.108 178.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.273 179.428 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 0.144 0 N-CA-C 110.296 -1.121 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 155' ' ' THR . . . . . 0.493 ' OG1' ' OH ' ' A' ' 144' ' ' TYR . 2.6 m -126.21 130.54 23.92 Favored Pre-proline 0 N--CA 1.467 0.419 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -61.89 124.1 13.86 Favored 'Trans proline' 0 N--CA 1.493 1.493 0 C-N-CA 122.48 2.12 . . . . 0.0 112.669 -178.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 157' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -59.78 142.48 53.22 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.989 0.423 . . . . 0.0 110.514 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -135.16 153.09 52.09 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.997 -178.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -76.36 123.25 25.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.023 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 160' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -58.04 -39.48 78.5 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.583 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 161' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -62.57 -48.04 81.19 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.137 0.494 . . . . 0.0 110.412 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 162' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -65.8 -38.31 88.62 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.293 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 13.0 tp -57.35 -47.05 82.6 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.347 -178.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -64.71 -35.28 80.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.051 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 165' ' ' ALA . . . . . . . . . . . . . . . -58.31 -47.74 82.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.165 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.07 -49.66 66.82 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.572 -179.045 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.02 -56.24 15.52 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.047 -178.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 168' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -50.7 -49.09 58.33 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.8 -178.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -60.4 -48.95 79.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.902 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 68.9 tp -54.78 -46.37 74.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.805 -178.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -57.51 -43.25 94.16 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 -179.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 172' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -57.32 -44.56 84.27 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -62.99 -45.56 91.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.168 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 91.0 mt -63.51 -38.33 90.72 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.221 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.37 -44.73 92.68 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.117 -178.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -67.13 -38.2 85.16 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.131 -0.628 . . . . 0.0 111.083 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 177' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -55.76 140.4 42.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.227 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 178' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -115.8 -46.71 2.83 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.53 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 179' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -62.52 140.46 58.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.886 0.374 . . . . 0.0 110.156 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 180' ' ' SER . . . . . . . . . . . . . 59.7 p -145.66 38.86 1.13 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.558 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 16.0 t -53.78 -25.62 19.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.056 0.455 . . . . 0.0 110.395 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 182' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -55.75 -34.88 65.61 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.043 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 183' ' ' LEU . . . . . . . . . . . . . 10.4 tp -58.27 -46.67 85.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.788 -177.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 184' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -68.07 -35.17 77.76 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.34 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 185' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' B' ' 189' ' ' ALA . 98.1 mt-10 -70.0 -42.09 73.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.818 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 186' ' ' ALA . . . . . . . . . . . . . . . -62.24 -40.15 95.21 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.494 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 187' ' ' ALA . . . . . . . . . . . . . . . -72.27 -56.95 4.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.676 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 188' ' ' SER . . . . . . . . . . . . . 38.9 t -63.99 -40.95 97.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.091 0.472 . . . . 0.0 110.521 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 189' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' B' ' 185' ' ' GLU . . . . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.981 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.2 mmm . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.0 155.58 21.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.531 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -101.3 118.68 37.46 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.464 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.4 mt -101.84 138.89 38.21 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.684 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.49 155.26 2.7 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.201 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -66.2 146.03 80.19 Favored 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 122.758 2.305 . . . . 0.0 112.123 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 20.6 mt -73.58 140.48 78.68 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.231 -179.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -69.39 167.39 24.08 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.481 2.12 . . . . 0.0 112.136 179.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -38.59 126.29 1.03 Allowed 'Trans proline' 0 C--N 1.316 -1.173 0 C-N-CA 122.449 2.099 . . . . 0.0 111.618 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 tt -99.23 116.87 64.84 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.384 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.51 149.93 29.13 Favored 'Trans proline' 0 N--CA 1.496 1.644 0 C-N-CA 122.323 2.015 . . . . 0.0 111.754 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.48 -19.97 65.9 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.851 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -59.78 -24.84 64.42 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.754 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -108.38 21.01 17.9 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 121.269 0.557 . . . . 0.0 110.483 -179.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.421 ' NZ ' ' NE2' ' A' ' 19' ' ' HIS . 7.0 tmtm? -59.52 -26.59 65.45 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.05 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.6 t -64.86 -47.96 76.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.86 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 30.0 pt -85.3 -6.14 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.068 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -55.36 -45.6 76.48 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.67 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.514 ' CD2' HH21 ' A' ' 22' ' ' ARG . 22.2 m170 -56.48 -37.49 70.41 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.234 0.54 . . . . 0.0 110.881 -179.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.56 -40.94 84.92 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.004 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.3 mt -59.7 -48.71 80.61 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.936 -178.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.514 HH21 ' CD2' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -62.2 -38.42 89.07 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.359 179.591 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 99.5 m -62.8 -44.06 97.16 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.212 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' A' ' 28' ' ' ASP . . . -67.44 -41.8 84.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.548 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -52.59 -45.23 66.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.322 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.426 ' OE1' ' OD1' ' B' ' 179' ' ' ASP . 77.7 tt0 -74.13 -47.39 36.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.046 0.45 . . . . 0.0 110.463 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.54 ' O ' ' N ' ' A' ' 31' ' ' ASP . 11.5 m80 -65.87 -21.86 66.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.579 -179.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 24' ' ' ALA . 5.9 t0 -56.77 -35.35 68.56 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.764 -0.375 . . . . 0.0 110.185 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.5 tptm -76.6 -36.3 57.59 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.937 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -90.21 -63.97 1.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.892 -179.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.54 ' N ' ' O ' ' A' ' 27' ' ' HIS . 37.5 m-20 -110.81 94.22 19.39 Favored Pre-proline 0 CA--C 1.537 0.443 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -69.15 -31.23 23.7 Favored 'Trans proline' 0 N--CA 1.494 1.518 0 C-N-CA 122.373 2.048 . . . . 0.0 111.875 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 94.3 t -62.65 -45.71 98.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.133 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.494 ' O ' ' SG ' ' A' ' 38' ' ' CYS . 65.3 t -67.86 -44.63 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.376 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.77 -35.88 77.53 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.287 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -63.02 -53.82 47.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.128 0.49 . . . . 0.0 110.624 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -65.19 -36.22 83.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.576 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.494 ' SG ' ' O ' ' A' ' 34' ' ' VAL . 95.1 m -57.52 -44.83 85.38 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.114 -179.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.8 mmt85 -64.17 -40.49 96.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.144 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 64.0 tp -56.82 -46.55 81.59 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.521 -179.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.447 ' O ' ' OG1' ' A' ' 45' ' ' THR . 16.2 t80 -59.12 -42.76 91.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.112 0.482 . . . . 0.0 110.071 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' A' ' 46' ' ' GLY . . . -63.68 -50.65 68.38 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.444 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 19.8 ttp -51.45 -65.99 0.46 Allowed 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 121.07 0.462 . . . . 0.0 111.408 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -51.59 -39.78 58.58 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.519 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.447 ' OG1' ' O ' ' A' ' 41' ' ' TYR . 40.5 m -70.74 -39.72 73.14 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.682 179.379 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -54.64 -62.34 6.33 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 111.471 -0.652 . . . . 0.0 111.471 -178.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.437 ' O ' ' O ' ' A' ' 50' ' ' ASP . 14.7 ptp -59.39 -38.67 81.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.092 0.472 . . . . 0.0 111.055 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.408 ' N ' ' CG ' ' A' ' 47' ' ' MET . 11.4 ttpt -59.93 -42.21 93.48 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.55 -178.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 71.4 mt -64.25 -46.58 92.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.18 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.505 ' OD1' ' O ' ' A' ' 46' ' ' GLY . 9.1 p-10 -98.18 -173.34 2.56 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 120.839 0.352 . . . . 0.0 110.433 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.441 ' O ' ' OG ' ' A' ' 51' ' ' SER . 6.5 t -136.2 55.15 1.86 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.413 -179.257 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.2 mttp 65.26 117.66 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.029 0.442 . . . . 0.0 110.505 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.496 ' O ' ' SG ' ' A' ' 56' ' ' CYS . 3.6 t -159.15 145.32 12.3 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.932 178.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -41.64 -54.99 2.5 Favored 'Trans proline' 0 C--N 1.313 -1.301 0 C-N-CA 122.242 1.961 . . . . 0.0 112.504 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -48.45 -61.88 1.78 Allowed 'General case' 0 C--O 1.241 0.644 0 CA-C-O 121.43 0.634 . . . . 0.0 110.532 -179.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.572 ' SG ' ' N ' ' A' ' 57' ' ' ARG . 8.3 p -57.66 -43.91 85.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.526 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.572 ' N ' ' SG ' ' A' ' 56' ' ' CYS . 52.8 ttt180 -44.06 -41.67 5.67 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.643 -179.576 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.603 ' HZ3' ' CB ' ' A' ' 58' ' ' LYS . 0.4 OUTLIER -69.65 -60.43 2.32 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.302 0.573 . . . . 0.0 111.016 -179.415 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -62.67 -47.36 84.03 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.299 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 56' ' ' CYS . 6.8 tp -56.51 -47.45 79.32 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.775 -178.093 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.9 t -56.95 -40.69 76.91 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.1 mmtt -63.15 -42.27 99.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.404 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 42.8 tp -60.39 -44.94 95.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.13 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 26.5 ttt -65.87 -39.97 91.19 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.195 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -56.74 -45.77 81.76 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.394 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -62.06 -44.81 95.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.426 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 mt -54.36 -51.81 63.6 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.779 -179.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -58.14 -49.85 75.56 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.135 0.493 . . . . 0.0 110.504 -179.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.59 -40.89 88.92 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.683 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.21 -41.24 92.62 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.077 -178.04 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -62.62 -40.07 95.8 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.993 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -59.91 -39.13 84.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.356 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -63.99 -50.98 66.43 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.22 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 60.8 mt -69.07 -31.43 70.18 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.719 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.14 -84.22 1.16 Allowed Glycine 0 N--CA 1.452 -0.298 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.56 ' C ' ' HG1' ' A' ' 81' ' ' THR . 34.4 m-20 -113.65 -65.99 1.13 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.959 0.409 . . . . 0.0 111.015 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.463 ' O ' ' O ' ' A' ' 76' ' ' ASP . 23.6 t-20 47.5 103.59 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.853 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -43.52 -45.26 6.44 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.74 -178.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.02 -28.62 53.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.496 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.454 ' N ' ' O ' ' A' ' 77' ' ' ASN . 46.7 mm -98.82 -49.43 11.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.722 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.56 ' HG1' ' C ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -61.94 -39.45 92.12 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.733 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -122.24 114.52 20.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.078 0.466 . . . . 0.0 110.714 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -62.05 -25.1 67.48 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.628 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 31.1 mm -48.67 -57.21 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.234 0.54 . . . . 0.0 110.492 -178.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.7 p -75.82 -32.58 24.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.273 -0.422 . . . . 0.0 109.979 179.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.653 ' O ' ' ND1' ' A' ' 89' ' ' HIS . . . -59.02 -41.42 96.44 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.183 -1.167 . . . . 0.0 110.183 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 7.8 t -70.86 -48.9 51.4 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 122.399 -0.471 . . . . 0.0 110.046 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.55 ' O ' ' ND2' ' A' ' 92' ' ' ASN . . . -50.09 -52.55 33.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.056 -179.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.653 ' ND1' ' O ' ' A' ' 86' ' ' GLY . 1.4 p-80 -59.79 -44.81 93.77 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.088 0.471 . . . . 0.0 110.646 -179.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.542 ' N ' ' CG ' ' A' ' 89' ' ' HIS . 1.0 OUTLIER -58.3 -42.23 86.18 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.853 -178.81 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -61.6 -44.2 97.45 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.694 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.55 ' ND2' ' O ' ' A' ' 88' ' ' ALA . 1.6 m-80 -63.92 -41.9 97.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.011 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -60.26 -49.18 78.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.694 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.38 -41.74 88.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.1 tp -59.62 -45.51 91.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.091 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -62.76 -40.83 98.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.047 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 13.8 tpp -64.07 -53.19 53.73 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.397 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -59.64 -49.39 77.92 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.491 -179.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.452 ' O ' ' ND2' ' A' ' 103' ' ' ASN . 2.7 mm? -60.35 -40.38 90.5 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.82 -179.302 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.585 ' CE2' ' OE1' ' A' ' 104' ' ' GLU . 89.6 t80 -53.89 -46.98 71.53 Favored 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.265 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.91 -48.36 63.51 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.064 0.459 . . . . 0.0 111.077 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.71 -39.04 73.16 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.366 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 99' ' ' LEU . 88.2 m-20 -62.22 -48.49 79.75 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.098 0.475 . . . . 0.0 110.706 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.585 ' OE1' ' CE2' ' A' ' 100' ' ' TYR . 18.0 mt-10 -68.31 -31.21 70.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.549 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -64.89 -42.15 95.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.661 -179.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -42.31 99.45 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.228 -179.595 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.04 -5.34 4.5 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.362 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 78.26 33.41 40.04 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 43.5 ttm-85 -105.19 106.09 16.43 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.568 ' CZ ' ' O ' ' A' ' 162' ' ' PRO . 14.4 m-85 -107.45 138.15 44.18 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.577 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.454 ' CG ' ' O ' ' A' ' 110' ' ' PHE . 23.9 m-70 -165.87 163.05 18.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.693 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -59.01 -35.26 72.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.012 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.54 ' OD1' ' CD1' ' B' ' 182' ' ' TYR . 40.0 t-20 -58.56 -38.76 78.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.925 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.424 ' O ' ' OG ' ' A' ' 117' ' ' SER . 33.9 mmm -67.63 -38.86 84.48 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 97.9 mt -58.49 -48.07 86.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.203 0.525 . . . . 0.0 110.483 -178.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -70.5 -28.45 64.97 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.18 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.614 ' HG ' ' N ' ' A' ' 118' ' ' PHE . 11.8 p -58.64 -44.15 89.95 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.614 ' N ' ' HG ' ' A' ' 117' ' ' SER . 64.6 m-85 -68.93 -45.21 71.38 Favored 'General case' 0 C--O 1.227 -0.104 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.248 179.2 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -59.91 -55.43 34.16 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.808 0.814 . . . . 0.0 109.786 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 11.3 m -58.72 -45.21 90.09 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.229 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -52.53 -38.36 59.56 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.408 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.2 p -63.08 -38.69 92.19 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.3 0.572 . . . . 0.0 109.598 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 49.9 mt -61.31 -42.26 98.37 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.484 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.55 -44.06 97.27 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.4 0.619 . . . . 0.0 111.164 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.1 mt -56.8 -42.4 77.6 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.095 0 C-N-CA 120.138 -0.625 . . . . 0.0 109.6 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.541 ' O ' ' OG1' ' A' ' 129' ' ' THR . 5.8 m-20 -61.05 -40.49 93.83 Favored 'General case' 0 C--O 1.248 1.018 0 CA-C-O 122.479 1.133 . . . . 0.0 109.778 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.415 ' O ' ' CG2' ' A' ' 130' ' ' VAL . 94.5 t -57.64 -33.23 44.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.125 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 59.8 mt -73.38 -42.81 56.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.226 0.536 . . . . 0.0 110.886 178.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.541 ' OG1' ' O ' ' A' ' 126' ' ' ASP . 68.6 p -49.45 -33.94 15.44 Favored 'General case' 0 CA--C 1.51 -0.595 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.411 -177.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.415 ' CG2' ' O ' ' A' ' 127' ' ' VAL . 10.9 m -41.67 -36.13 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.011 179.292 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -64.89 -44.17 90.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.623 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 100.26 -17.26 57.19 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -91.87 60.44 3.89 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 40.0 tp -111.05 137.31 48.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.528 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 22.2 p -82.13 154.55 25.47 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-O 121.353 0.597 . . . . 0.0 110.541 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -58.59 -34.16 70.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.466 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -52.11 -44.54 64.49 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.628 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -64.79 -37.85 89.0 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.824 0.345 . . . . 0.0 110.413 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 57.8 t -58.82 -43.87 89.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.166 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -64.18 -41.54 97.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.418 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 21.7 m80 -57.1 -43.11 81.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.953 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 10.8 ttm180 -60.71 -46.28 91.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.957 0.408 . . . . 0.0 110.043 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -62.64 -37.72 87.46 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.174 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -69.14 -47.55 64.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.341 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -56.17 -36.0 67.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.843 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 50.8 ttt180 -66.07 -48.13 72.03 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.025 0.44 . . . . 0.0 110.595 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 27.1 t90 -58.56 -44.61 89.77 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.309 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 20.9 mttm -63.4 -39.06 93.48 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.695 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -54.1 -51.78 63.08 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.712 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 9.8 p -72.24 -37.99 69.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.24 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -54.69 -49.14 71.39 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.796 -179.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . 0.405 HD13 HG23 ' A' ' 152' ' ' ILE . 96.1 mt -66.64 -43.46 90.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.978 0.418 . . . . 0.0 110.737 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -57.14 -47.21 81.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.031 0.443 . . . . 0.0 110.627 -179.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' ASN . . . . . 0.529 ' ND2' ' OE1' ' B' ' 166' ' ' GLU . 88.2 m-20 -63.87 -39.44 94.21 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.267 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 93.5 m -63.64 -39.3 94.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.356 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.18 -45.82 91.68 Favored 'General case' 0 N--CA 1.441 -0.875 0 CA-C-O 121.399 0.618 . . . . 0.0 111.011 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -65.38 -32.58 74.29 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.95 -178.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' ASN . . . . . 0.427 ' OD1' ' O ' ' A' ' 154' ' ' ASN . 23.9 m120 -77.46 -19.41 56.01 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.859 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 81.83 37.84 15.32 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.497 -1.041 . . . . 0.0 110.497 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -127.8 128.35 45.12 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 120.847 0.355 . . . . 0.0 110.892 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 5.6 t -68.83 116.95 46.35 Favored Pre-proline 0 CA--C 1.539 0.534 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.903 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' PRO . . . . . 0.568 ' O ' ' CZ ' ' A' ' 110' ' ' PHE . 54.4 Cg_exo -48.6 138.26 25.2 Favored 'Trans proline' 0 N--CA 1.496 1.668 0 C-N-CA 122.227 1.951 . . . . 0.0 112.24 -179.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 . . . . . 0 N--CA 1.464 0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.246 179.967 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.106 0 N-CA-C 110.462 -1.055 . . . . 0.0 110.462 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 30.6 p -93.66 132.12 30.71 Favored Pre-proline 0 CA--C 1.538 0.489 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.672 -179.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -73.45 -159.67 0.09 OUTLIER 'Trans proline' 0 N--CA 1.496 1.638 0 C-N-CA 122.436 2.091 . . . . 0.0 111.879 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 157' ' ' GLU . . . . . 0.412 ' O ' ' CG ' ' B' ' 157' ' ' GLU . 5.7 pt-20 -97.15 104.41 16.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.037 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.93 140.68 52.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.993 0.425 . . . . 0.0 110.652 -179.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.82 142.61 36.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.946 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 160' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -65.37 -34.91 79.43 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.76 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 161' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -65.14 -54.93 22.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.863 0.363 . . . . 0.0 110.998 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 162' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -62.25 -39.58 93.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.994 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 49.3 tp -57.56 -47.79 81.12 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.417 -178.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -65.61 -32.38 73.92 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.419 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 165' ' ' ALA . . . . . . . . . . . . . . . -58.9 -49.38 78.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.668 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 166' ' ' GLU . . . . . 0.529 ' OE1' ' ND2' ' A' ' 154' ' ' ASN . 0.8 OUTLIER -63.19 -44.92 94.05 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.62 -179.166 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.33 -55.9 26.22 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.853 -178.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 168' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.79 -43.96 63.25 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.678 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -64.29 -52.44 58.54 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.258 0.551 . . . . 0.0 110.286 179.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 3.4 tt -54.67 -44.47 73.33 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.474 -0.49 . . . . 0.0 110.121 -179.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -56.3 -45.38 88.66 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.667 -0.973 . . . . 0.0 110.667 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 172' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -56.86 -43.89 81.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.297 0.57 . . . . 0.0 109.555 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -58.44 -55.76 30.85 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.2 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . 0.446 ' O ' ' O ' ' B' ' 177' ' ' ASP . 94.1 mt -59.15 -39.04 81.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.097 -179.595 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 175' ' ' LEU . . . . . 0.406 ' CD2' ' C ' ' B' ' 175' ' ' LEU . 7.7 tt -51.33 -41.37 60.52 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.656 -0.418 . . . . 0.0 109.885 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -55.21 -33.97 63.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.037 -0.528 . . . . 0.0 109.998 179.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 177' ' ' ASP . . . . . 0.446 ' O ' ' O ' ' B' ' 174' ' ' LEU . 9.9 t70 -140.56 112.5 7.64 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.122 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 178' ' ' GLU . . . . . . . . . . . . . 43.5 tp10 -119.45 -28.2 5.4 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.918 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 179' ' ' ASP . . . . . 0.426 ' OD1' ' OE1' ' A' ' 26' ' ' GLU . 55.0 m-20 -90.27 128.91 36.54 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.9 0.381 . . . . 0.0 110.838 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 180' ' ' SER . . . . . . . . . . . . . 1.5 t -165.22 165.69 19.47 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.729 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 17.5 p -81.27 -10.43 59.59 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.532 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 182' ' ' TYR . . . . . 0.54 ' CD1' ' OD1' ' A' ' 113' ' ' ASN . 0.1 OUTLIER -53.52 -44.14 68.88 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 121.434 0.635 . . . . 0.0 110.304 -179.188 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 183' ' ' LEU . . . . . 0.504 ' N ' ' CG ' ' B' ' 182' ' ' TYR . 1.1 pp -67.23 -35.78 80.28 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.324 -179.329 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 184' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -66.72 -36.51 82.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.786 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -67.06 -43.64 82.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.515 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.77 -38.96 89.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.525 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 187' ' ' ALA . . . . . . . . . . . . . . . -68.52 -38.43 80.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.941 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 188' ' ' SER . . . . . 0.427 ' O ' ' C ' ' B' ' 189' ' ' ALA . 54.3 p -68.04 -32.41 72.75 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.703 -179.518 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 189' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' B' ' 188' ' ' SER . . . . . . . . 0 CA--C 1.54 0.565 0 O-C-N 123.653 0.595 . . . . 0.0 111.271 -178.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.1 ttm . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.28 151.31 47.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.494 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -85.13 152.31 23.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.433 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 30.7 mt -118.65 151.97 36.96 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.159 0.504 . . . . 0.0 110.679 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.34 153.76 13.04 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.423 -179.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -68.71 148.89 72.65 Favored 'Trans proline' 0 N--CA 1.494 1.551 0 C-N-CA 122.734 2.289 . . . . 0.0 111.938 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 52.4 mt -85.03 145.31 43.07 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.904 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -68.1 166.48 24.81 Favored 'Trans proline' 0 N--CA 1.494 1.543 0 C-N-CA 122.593 2.196 . . . . 0.0 112.281 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -40.69 144.89 0.42 Allowed 'Trans proline' 0 C--N 1.311 -1.426 0 C-N-CA 122.621 2.214 . . . . 0.0 111.62 179.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 tt -106.35 104.68 51.4 Favored Pre-proline 0 CA--C 1.54 0.574 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.731 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -50.79 153.52 8.18 Favored 'Trans proline' 0 N--CA 1.497 1.68 0 C-N-CA 122.467 2.111 . . . . 0.0 112.462 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.31 -23.61 67.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.613 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -56.17 -25.46 46.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.658 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -113.75 26.95 9.92 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.402 0.62 . . . . 0.0 110.781 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -66.01 -23.78 66.63 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.713 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.9 p -73.77 -52.93 11.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.153 0.501 . . . . 0.0 111.34 -179.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -72.21 -12.5 15.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.414 -179.449 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -50.29 -37.15 34.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.875 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.7 m170 -59.62 -40.68 88.38 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -64.11 -42.52 96.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.565 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.71 -40.17 96.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.967 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.23 -48.41 81.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.228 0.537 . . . . 0.0 110.422 -178.615 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 28.3 m -63.03 -43.17 99.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.318 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.69 -49.41 77.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.877 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -54.87 -46.1 74.67 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.737 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.0 tp10 -68.09 -52.03 39.76 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.673 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.494 ' O ' ' N ' ' A' ' 31' ' ' ASP . 0.3 OUTLIER -61.05 -26.48 67.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.573 -179.601 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -49.97 -38.45 36.93 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.125 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -77.49 -34.09 54.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.826 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.8 mmp_? -86.75 -65.44 1.01 Allowed 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.085 -178.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.494 ' N ' ' O ' ' A' ' 27' ' ' HIS . 38.3 m-20 -124.13 107.95 30.15 Favored Pre-proline 0 CA--C 1.54 0.585 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.862 -179.588 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.39 -22.55 21.51 Favored 'Trans proline' 0 N--CA 1.492 1.411 0 C-N-CA 121.979 1.786 . . . . 0.0 111.879 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 79.7 t -62.33 -51.78 68.15 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.03 -178.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.1 p -71.93 -39.75 67.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.389 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.1 -42.53 98.7 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.385 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -61.78 -48.69 79.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.778 0.323 . . . . 0.0 110.513 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -63.89 -39.76 94.93 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.567 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 93.6 m -60.85 -44.22 97.28 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.847 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.527 HH22 ' CB ' ' A' ' 70' ' ' LEU . 44.2 mtm180 -60.38 -43.81 96.23 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.005 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 tt -58.6 -43.53 89.58 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.472 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.446 ' O ' ' OG1' ' A' ' 45' ' ' THR . 7.0 t80 -54.89 -45.88 74.72 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 121.333 0.587 . . . . 0.0 109.938 179.357 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.13 -49.38 77.47 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.632 -179.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 32.3 ttp -50.67 -58.15 6.56 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 120.852 0.358 . . . . 0.0 110.957 -178.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -60.16 -35.86 76.27 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.699 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' A' ' 41' ' ' TYR . 18.4 m -71.3 -41.53 69.83 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.933 0.397 . . . . 0.0 110.616 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -62.05 -46.72 93.45 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.854 -0.498 . . . . 0.0 111.854 -178.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.453 ' O ' ' O ' ' A' ' 50' ' ' ASP . 10.6 ptt? -65.6 -35.92 82.23 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -66.7 -41.59 87.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.853 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 70.6 mt -62.33 -44.89 99.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.994 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.453 ' O ' ' O ' ' A' ' 47' ' ' MET . 7.9 m-20 -110.06 -168.1 1.28 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.973 0.416 . . . . 0.0 110.275 -179.446 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.1 t -151.23 4.52 0.45 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.051 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.55 ' O ' ' O ' ' A' ' 53' ' ' THR . 10.6 mttm 179.73 -97.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.797 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.55 ' O ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER 52.28 142.47 0.03 OUTLIER Pre-proline 0 CA--C 1.543 0.706 0 O-C-N 123.939 0.774 . . . . 0.0 110.704 -178.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -70.49 -51.21 0.34 Allowed 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 121.944 1.763 . . . . 0.0 111.78 179.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -65.08 -31.94 73.41 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.517 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 30.7 t -72.29 -67.21 0.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.05 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 20.2 ptp180 -41.11 -42.17 1.93 Allowed 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.726 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.97 -43.26 93.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.056 0.455 . . . . 0.0 110.655 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -61.64 -44.56 96.76 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.285 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.9 mp -62.14 -42.53 99.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.68 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 34.5 t -55.56 -48.14 75.25 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.716 -0.393 . . . . 0.0 110.366 -179.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.3 mmtt -66.78 -41.43 87.67 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 36.2 tp -61.2 -41.94 97.71 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.157 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 19.9 ttm -66.0 -39.79 90.6 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.423 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -58.18 -44.46 88.03 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.059 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.472 ' C ' HH12 ' A' ' 39' ' ' ARG . 72.6 mt-30 -62.45 -44.0 97.47 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.432 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.0 mt -57.54 -46.76 83.5 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.8 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -66.48 -43.18 86.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.168 0.508 . . . . 0.0 110.501 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.46 -38.78 92.44 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.101 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.527 ' CB ' HH22 ' A' ' 39' ' ' ARG . 0.2 OUTLIER -61.67 -43.27 99.17 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.073 -178.586 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.487 ' NZ ' ' O ' ' A' ' 75' ' ' GLY . 26.9 tptp -63.43 -37.88 88.99 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.855 179.561 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.7 tptt -59.7 -44.61 93.59 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.479 -178.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -63.16 -47.77 81.28 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.731 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.2 mt -69.66 -30.44 68.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.443 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.487 ' O ' ' NZ ' ' A' ' 71' ' ' LYS . . . 74.93 -84.86 0.79 Allowed Glycine 0 C--O 1.229 -0.185 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -145.5 80.64 1.6 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 61.1 t-20 -90.01 126.8 35.89 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.403 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -46.85 -37.99 9.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.286 -179.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.2 -36.73 82.83 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.45 -178.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 12.3 mm -94.14 -43.77 13.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.034 -179.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 36.3 p -62.59 -54.0 46.26 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.122 -178.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -100.44 106.93 18.55 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.266 0.555 . . . . 0.0 110.949 -178.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.92 -26.03 33.33 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.037 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 42.6 mm -49.53 -55.76 4.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.571 -177.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.8 p -73.13 -35.92 48.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.484 178.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.39 -46.8 93.31 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 -179.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.5 t -63.73 -50.97 67.03 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 179.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.81 -36.91 75.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.434 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 69.4 t60 -58.84 -45.5 89.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.352 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -63.74 -44.41 93.59 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.099 -179.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.529 ' OE1' ' N ' ' A' ' 91' ' ' GLU . 0.4 OUTLIER -62.38 -42.56 99.51 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.58 -178.7 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -61.42 -42.65 99.08 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.276 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -61.66 -47.67 84.31 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.133 0.492 . . . . 0.0 110.689 -179.497 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.28 -48.79 80.22 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.907 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.1 tp -60.87 -42.53 98.08 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.696 -179.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 45.7 tptt -60.15 -49.25 78.36 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.627 0.727 . . . . 0.0 111.66 -178.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.441 ' SD ' ' CD1' ' A' ' 124' ' ' LEU . 5.6 ptm -77.11 -35.31 56.46 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.305 -178.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -63.62 -53.35 52.92 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 120.477 -0.489 . . . . 0.0 109.891 -178.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.74 -40.44 88.08 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.77 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -51.32 -46.95 62.75 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 119.782 -0.767 . . . . 0.0 110.354 179.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.31 -44.9 78.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.399 0.618 . . . . 0.0 111.009 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -61.9 -37.55 85.05 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.324 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 22.6 t30 -63.14 -43.73 97.54 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.472 179.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -70.53 -31.09 68.02 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.381 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -60.78 -51.82 67.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.267 -179.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.3 ptt-85 -68.78 -35.94 77.67 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.114 0.483 . . . . 0.0 110.45 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.33 -10.67 17.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.127 -178.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 82.59 22.84 57.63 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.509 ' O ' ' SD ' ' A' ' 114' ' ' MET . 2.0 mmt85 -97.82 101.2 12.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.726 0.298 . . . . 0.0 110.612 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -101.62 133.79 45.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.874 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -168.36 151.93 5.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.292 179.392 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 57.7 pttt -50.94 -21.08 1.56 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.387 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -64.22 -39.44 93.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.494 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.509 ' SD ' ' O ' ' A' ' 109' ' ' ARG . 3.0 mtm -61.77 -40.98 97.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.687 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.37 -49.13 85.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.06 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 9.3 tttm -65.52 -29.5 70.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.648 -179.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.41 ' OG ' ' N ' ' A' ' 118' ' ' PHE . 10.6 p -61.71 -52.18 65.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.773 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.41 ' N ' ' OG ' ' A' ' 117' ' ' SER . 61.3 m-85 -64.26 -38.62 91.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.597 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.418 ' O ' ' OG ' ' A' ' 122' ' ' SER . 26.6 t80 -57.69 -55.85 29.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.058 0.456 . . . . 0.0 110.499 -179.26 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 11.9 m -58.25 -40.88 82.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.963 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -57.37 -40.85 78.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.233 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.418 ' OG ' ' O ' ' A' ' 119' ' ' TYR . 49.7 p -61.37 -42.31 98.49 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-O 121.667 0.746 . . . . 0.0 110.719 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 95.5 mt -62.36 -42.51 99.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.447 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.441 ' CD1' ' SD ' ' A' ' 97' ' ' MET . 15.0 mt -61.11 -38.54 86.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.423 0.63 . . . . 0.0 110.462 -179.727 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 89.8 mt -59.01 -42.58 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.492 ' O ' ' OG1' ' A' ' 129' ' ' THR . 37.0 t0 -57.97 -41.81 83.74 Favored 'General case' 0 C--O 1.249 1.045 0 CA-C-O 122.109 0.956 . . . . 0.0 110.506 179.127 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 14.0 t -57.98 -34.3 48.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.671 179.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 89.9 mt -70.34 -43.79 78.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.907 178.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.492 ' OG1' ' O ' ' A' ' 126' ' ' ASP . 67.4 p -51.33 -39.78 57.68 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.806 -176.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.41 ' N ' ' HG1' ' A' ' 129' ' ' THR . 3.5 m -40.73 -28.18 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 C-N-CA 120.036 -0.666 . . . . 0.0 111.104 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.423 ' N ' ' O ' ' A' ' 129' ' ' THR . 35.3 m-85 -71.35 -44.3 65.3 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.837 179.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 129' ' ' THR . . . 104.35 34.45 3.63 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -121.42 59.52 0.96 Allowed 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 120.922 0.391 . . . . 0.0 110.702 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -81.78 88.8 6.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.391 -178.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.687 ' N ' HD21 ' A' ' 138' ' ' ASN . 7.6 p -83.49 146.16 28.53 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.051 179.042 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -42.05 -41.8 2.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.671 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -54.22 -56.66 16.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.642 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . 0.687 HD21 ' N ' ' A' ' 135' ' ' THR . 1.2 p30 -54.19 -45.05 72.08 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.081 0.467 . . . . 0.0 110.324 -179.275 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . 0.425 ' N ' ' CG ' ' A' ' 138' ' ' ASN . 61.7 t -61.73 -45.98 97.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.832 -178.039 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 4.7 ttmm -60.66 -45.38 94.35 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.454 0.645 . . . . 0.0 110.564 -178.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 34.6 m170 -64.33 -42.09 96.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.132 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -57.75 -42.69 84.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.392 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -62.32 -39.49 93.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -70.39 -42.76 71.28 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.516 -0.474 . . . . 0.0 111.578 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -55.9 -46.77 78.29 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.853 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 60.1 mtp85 -65.59 -45.23 84.03 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.974 -0.29 . . . . 0.0 111.633 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 18.1 t90 -61.39 -49.23 77.75 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.938 0.399 . . . . 0.0 111.085 -178.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -61.5 -39.91 92.66 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.807 -178.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -60.23 -48.12 83.07 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 37.3 p -73.8 -43.07 59.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.175 -179.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -52.4 -53.18 48.44 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.78 0.324 . . . . 0.0 110.838 -178.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 84.1 mt -65.58 -42.68 93.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.903 0.382 . . . . 0.0 110.521 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . 0.408 ' NE2' ' CE ' ' A' ' 157' ' ' LYS . 73.3 t60 -50.84 -52.57 40.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.051 -178.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -64.6 -37.25 86.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.455 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.14 -40.23 80.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.109 0.481 . . . . 0.0 110.833 -179.272 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.48 ' HG ' ' N ' ' A' ' 157' ' ' LYS . 0.1 OUTLIER -71.15 -42.09 69.6 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.279 0.561 . . . . 0.0 110.687 -179.564 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.48 ' N ' ' HG ' ' A' ' 156' ' ' LEU . 46.4 mttm -62.23 -34.34 76.31 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.628 -177.021 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -86.38 -14.44 43.42 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.77 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 83.57 14.17 74.11 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 110.655 -0.978 . . . . 0.0 110.655 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -82.18 142.75 31.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.717 0.294 . . . . 0.0 110.574 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 54.2 m -81.51 127.79 71.97 Favored Pre-proline 0 CA--C 1.539 0.548 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.547 -179.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -73.07 157.72 50.45 Favored 'Trans proline' 0 N--CA 1.497 1.717 0 C-N-CA 122.394 2.063 . . . . 0.0 112.068 179.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 . . . . . 0 C--N 1.332 -0.181 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.223 179.509 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.37 0 N-CA-C 110.556 -1.017 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 3.1 p -106.82 130.22 23.22 Favored Pre-proline 0 CA--C 1.54 0.59 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.018 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -73.86 -155.36 0.04 OUTLIER 'Trans proline' 0 N--CA 1.497 1.689 0 C-N-CA 122.461 2.107 . . . . 0.0 111.644 179.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 157' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -91.39 101.85 14.53 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.98 0.419 . . . . 0.0 110.09 179.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 158' ' ' LEU . . . . . 0.544 ' CD2' ' N ' ' B' ' 158' ' ' LEU . 3.2 mm? -96.14 127.01 41.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.217 0.532 . . . . 0.0 110.483 -179.334 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -77.13 114.47 15.97 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.937 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 160' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -44.08 -41.02 5.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.832 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 161' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -63.99 -50.01 70.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.984 0.421 . . . . 0.0 110.497 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 162' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -63.75 -49.18 74.03 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.462 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.13 -46.05 22.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.177 0.513 . . . . 0.0 110.532 -179.478 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.6 -36.99 83.95 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 165' ' ' ALA . . . . . . . . . . . . . . . -59.11 -45.76 90.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.715 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.74 -42.28 74.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.927 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.7 -56.14 25.59 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.389 -178.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 168' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -53.06 -48.8 67.39 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.221 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -60.6 -48.42 81.87 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.059 0.457 . . . . 0.0 110.269 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 7.6 tt -57.37 -43.36 83.49 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.356 -178.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -58.66 -43.44 96.27 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 172' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -58.58 -40.59 83.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.825 0.345 . . . . 0.0 110.45 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -61.46 -52.8 63.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.945 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 10.9 mp -63.58 -37.99 89.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.02 0.438 . . . . 0.0 110.493 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.48 -42.29 87.71 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 120.265 -0.574 . . . . 0.0 110.554 -179.529 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -73.93 -40.17 63.29 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 120.559 -0.457 . . . . 0.0 111.152 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 177' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -55.49 145.71 22.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.377 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 178' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -91.77 14.07 16.43 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.372 0.606 . . . . 0.0 110.056 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 179' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -65.61 138.64 58.15 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.346 -0.542 . . . . 0.0 110.482 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 180' ' ' SER . . . . . . . . . . . . . 45.9 p -158.68 -21.62 0.08 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.928 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 181' ' ' SER . . . . . 0.441 ' O ' ' OD2' ' B' ' 184' ' ' ASP . 81.9 p -56.61 -25.82 54.07 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-O 121.12 0.486 . . . . 0.0 110.547 -179.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 182' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.35 -31.95 64.25 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.207 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 183' ' ' LEU . . . . . . . . . . . . . 8.5 tp -56.82 -51.31 69.47 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.713 -176.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 184' ' ' ASP . . . . . 0.441 ' OD2' ' O ' ' B' ' 181' ' ' SER . 3.1 p30 -68.64 -30.95 69.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.726 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -60.24 -58.15 9.75 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.646 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.81 -33.96 75.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.325 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 187' ' ' ALA . . . . . . . . . . . . . . . -68.16 -42.81 79.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 188' ' ' SER . . . . . . . . . . . . . 34.1 m -102.23 24.27 10.46 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.994 -0.372 . . . . 0.0 109.994 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 189' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.48 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.754 -179.169 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 27.3 mt . . . . . 0 CA--C 1.519 -0.234 0 CA-C-O 121.062 0.458 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.54 151.84 76.36 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.728 -179.38 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -68.91 154.75 70.37 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.661 2.241 . . . . 0.0 111.938 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.09 151.11 69.66 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.063 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -60.34 166.64 9.03 Favored 'Trans proline' 0 N--CA 1.495 1.594 0 C-N-CA 122.49 2.127 . . . . 0.0 112.115 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -38.08 131.81 0.88 Allowed 'Trans proline' 0 C--N 1.311 -1.437 0 C-N-CA 122.654 2.236 . . . . 0.0 111.312 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.8 tp -97.23 112.12 60.01 Favored Pre-proline 0 CA--C 1.541 0.632 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.975 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_exo -54.71 163.57 3.83 Favored 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 122.581 2.187 . . . . 0.0 112.14 177.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.89 -23.88 65.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.043 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -60.12 -11.36 5.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.752 -179.294 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -122.46 28.33 7.44 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 121.195 0.522 . . . . 0.0 110.65 -179.381 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.2 pttt -63.09 -31.1 72.16 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.65 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.7 m -63.93 -44.79 91.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.775 0.321 . . . . 0.0 111.657 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.6 pt -87.18 -9.9 11.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.964 -179.186 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -49.82 -48.72 50.66 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.954 -179.505 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -65.11 -40.59 94.75 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.036 0.446 . . . . 0.0 110.852 -178.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -57.58 -42.49 83.24 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.327 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 59.0 mt -63.08 -44.53 95.5 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.532 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -62.34 -38.53 89.84 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.27 0.557 . . . . 0.0 110.586 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 90.0 m -60.91 -42.2 97.59 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.928 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.21 -39.64 94.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.509 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.4 mm100 -55.15 -42.4 73.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.953 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -72.81 -48.97 33.42 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.427 0.632 . . . . 0.0 110.704 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.434 ' O ' ' O ' ' A' ' 31' ' ' ASP . 15.8 m80 -64.03 -25.3 68.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.187 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -53.34 -45.44 69.11 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.341 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -75.94 -48.61 20.54 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.85 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -63.08 -50.77 69.25 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.967 0.413 . . . . 0.0 110.783 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.434 ' O ' ' O ' ' A' ' 27' ' ' HIS . 5.6 m-20 -153.99 116.24 2.6 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.895 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -70.24 -19.89 33.26 Favored 'Trans proline' 0 C--N 1.313 -1.297 0 C-N-CA 122.141 1.894 . . . . 0.0 112.345 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 83.0 t -61.34 -50.84 78.79 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.927 -179.027 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 57.8 t -68.37 -43.12 84.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.012 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.88 -39.33 88.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.69 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.551 ' CD2' ' CD1' ' A' ' 80' ' ' ILE . 77.9 t80 -60.44 -53.95 51.47 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.232 0.539 . . . . 0.0 110.705 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -62.71 -34.37 77.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.095 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.5 m -60.27 -44.96 94.87 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.151 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -60.27 -38.76 84.57 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.7 tp -57.7 -44.79 86.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.981 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.54 ' CE1' ' OD1' ' A' ' 126' ' ' ASP . 65.0 t80 -57.68 -46.65 84.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.119 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.34 -52.7 63.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.809 -179.405 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.8 ttp -57.51 -46.52 83.69 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.671 -179.029 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -63.47 -41.77 98.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.349 0.595 . . . . 0.0 110.718 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.0 m -72.08 -34.96 69.08 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.497 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -60.75 -49.13 81.96 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 111.769 -0.532 . . . . 0.0 111.769 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.59 ' SD ' ' N ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -68.99 -34.8 75.88 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-O 121.012 0.434 . . . . 0.0 110.022 179.681 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.59 ' N ' ' SD ' ' A' ' 47' ' ' MET . 88.7 tttt -62.35 -43.46 98.76 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.481 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 93.3 mt -67.33 -46.59 83.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.731 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.563 ' O ' ' O ' ' A' ' 47' ' ' MET . 4.8 p-10 -142.97 -148.75 0.24 Allowed 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.571 -178.644 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 50' ' ' ASP . 1.7 m 157.44 14.31 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.612 ' O ' ' O ' ' A' ' 53' ' ' THR . 60.4 tttt -125.85 -139.73 0.28 Allowed 'General case' 0 CA--C 1.515 -0.375 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.612 ' O ' ' O ' ' A' ' 52' ' ' LYS . 0.6 OUTLIER 38.61 113.43 0.0 OUTLIER Pre-proline 0 CA--C 1.541 0.613 0 O-C-N 124.415 1.072 . . . . 0.0 111.071 -179.722 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -40.52 -27.55 0.28 Allowed 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 121.588 1.525 . . . . 0.0 112.251 -179.199 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 53' ' ' THR . 44.4 mt-10 -67.43 -45.25 76.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.911 0.386 . . . . 0.0 110.19 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.56 ' SG ' ' OD2' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -71.45 -53.58 13.5 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.257 179.748 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -47.46 -46.84 27.19 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.359 -178.43 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm -66.58 -42.03 87.65 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.94 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -58.99 -46.47 88.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.756 -179.318 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.87 -41.45 99.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.269 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 52.9 p -58.94 -44.28 91.35 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.363 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -65.19 -44.48 88.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.45 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 35.7 tp -61.81 -43.04 99.65 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.868 -178.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.7 ttt -61.59 -41.81 97.97 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.391 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -60.29 -41.31 93.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.654 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -63.52 -40.56 97.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.414 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.9 mt -62.13 -44.34 96.85 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.23 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -62.9 -46.48 87.6 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.68 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.67 -41.41 99.07 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.424 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.569 HD13 ' O ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -61.31 -46.63 89.51 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.414 -0.515 . . . . 0.0 110.581 -178.757 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -58.3 -42.53 86.84 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.143 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? -63.71 -42.18 97.99 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.953 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -54.2 -50.03 68.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.686 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 70.0 mt -67.3 -29.48 69.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.605 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.66 -85.76 1.42 Allowed Glycine 0 N--CA 1.452 -0.256 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.5 ' O ' ' O ' ' A' ' 77' ' ' ASN . 0.0 OUTLIER -115.7 -64.95 1.24 Allowed 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.813 0.34 . . . . 0.0 110.401 -178.775 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.5 ' O ' ' O ' ' A' ' 76' ' ' ASP . 44.4 t-20 50.58 113.63 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.451 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -51.25 -30.92 19.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.908 0.385 . . . . 0.0 110.295 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.04 -32.19 71.52 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.131 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.551 ' CD1' ' CD2' ' A' ' 36' ' ' TYR . 7.7 mm -93.26 -49.22 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.013 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.499 HG23 ' O ' ' A' ' 76' ' ' ASP . 1.0 OUTLIER -63.41 -52.87 59.77 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.325 -179.784 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -99.0 98.07 9.15 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.231 0.539 . . . . 0.0 110.313 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.662 ' CD ' ' H ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -59.91 -21.07 60.62 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.804 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 84.6 mt -58.53 -51.75 67.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.129 -179.109 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.0 m -74.29 -36.21 42.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.899 0.38 . . . . 0.0 110.497 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -61.34 -45.17 97.0 Favored Glycine 0 CA--C 1.52 0.357 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 3.0 t -64.75 -49.88 69.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.876 0.369 . . . . 0.0 110.418 179.366 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.09 -39.36 72.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.409 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -63.77 -43.67 95.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.742 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.2 mt -60.95 -41.74 96.91 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.379 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -61.24 -43.86 98.19 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.459 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -64.08 -41.27 97.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.766 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -60.01 -47.89 83.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.383 -179.28 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.37 -41.12 98.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.427 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 8.3 mt -61.79 -46.24 90.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.32 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -60.09 -43.88 95.21 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.601 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 24.3 tpp -63.94 -46.72 83.46 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.396 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.547 ' CE2' ' OD2' ' A' ' 102' ' ' ASP . 37.1 t80 -62.29 -52.72 62.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.303 -179.112 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.61 -40.85 72.64 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.109 -178.485 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -56.55 -47.4 79.55 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.005 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.654 ' HB1' ' CE2' ' A' ' 118' ' ' PHE . . . -65.45 -40.24 93.01 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 121.178 0.513 . . . . 0.0 110.392 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.547 ' OD2' ' CE2' ' A' ' 98' ' ' PHE . 85.8 m-20 -64.59 -38.51 91.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.341 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -60.37 -47.49 85.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.033 0.444 . . . . 0.0 110.185 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -72.26 -26.47 62.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.66 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -60.87 -52.25 65.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 48.8 ptt85 -72.91 -28.5 62.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.801 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.86 -14.09 50.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.368 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 81.23 32.71 30.85 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.553 ' O ' ' SD ' ' A' ' 114' ' ' MET . 28.6 ttm180 -125.18 106.01 9.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.628 0.252 . . . . 0.0 110.562 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.486 ' O ' ' CG ' ' A' ' 111' ' ' HIS . 24.3 m-85 -111.87 142.26 44.47 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.168 -179.646 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.486 ' CG ' ' O ' ' A' ' 110' ' ' PHE . 51.3 m-70 -163.29 171.0 16.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.266 0.555 . . . . 0.0 110.407 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.656 ' HA ' HD12 ' A' ' 115' ' ' ILE . 0.5 OUTLIER -63.0 -34.17 76.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.616 179.824 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.461 ' OD1' ' N ' ' A' ' 114' ' ' MET . 5.0 p30 -57.8 -45.52 85.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.187 0.518 . . . . 0.0 110.395 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.553 ' SD ' ' O ' ' A' ' 109' ' ' ARG . 72.9 mtp -64.55 -38.07 89.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.697 179.489 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.656 HD12 ' HA ' ' A' ' 112' ' ' LYS . 96.5 mt -57.06 -42.19 78.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 -179.472 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -65.18 -37.73 88.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.29 178.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 42.2 m -58.83 -47.31 85.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.959 -178.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.654 ' CE2' ' HB1' ' A' ' 101' ' ' ALA . 37.5 m-85 -63.09 -50.12 71.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 110.701 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -62.01 -49.35 76.39 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.378 0.608 . . . . 0.0 110.493 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 95.3 m -57.76 -41.68 82.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.762 -179.49 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -57.65 -37.45 73.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.223 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 36.3 p -62.0 -41.24 97.84 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.131 0.491 . . . . 0.0 110.398 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 54.3 mt -61.53 -39.26 90.4 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.072 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -62.68 -41.93 99.36 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.599 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.509 ' HA ' HD12 ' A' ' 128' ' ' ILE . 96.8 mt -58.57 -41.96 83.41 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.084 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.54 ' OD1' ' CE1' ' A' ' 41' ' ' TYR . 18.7 t0 -58.87 -42.87 90.5 Favored 'General case' 0 C--O 1.254 1.341 0 CA-C-O 122.018 0.913 . . . . 0.0 110.26 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.798 ' O ' HG22 ' A' ' 130' ' ' VAL . 97.6 t -61.68 -25.94 38.3 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.653 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.294 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.509 HD12 ' HA ' ' A' ' 125' ' ' ILE . 96.7 mt -76.11 -40.7 37.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.462 0.649 . . . . 0.0 110.233 178.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.512 HG22 ' HG ' ' A' ' 134' ' ' LEU . 18.0 p -58.01 -40.76 81.59 Favored 'General case' 0 CA--C 1.511 -0.534 0 O-C-N 121.789 -0.569 . . . . 0.0 111.378 -177.73 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.798 HG22 ' O ' ' A' ' 127' ' ' VAL . 11.9 m -44.26 -29.0 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.839 -179.309 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -63.07 -29.4 70.78 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 120.885 0.374 . . . . 0.0 110.3 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 111.97 -15.16 26.13 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.459 ' O ' ' CB ' ' A' ' 134' ' ' LEU . 84.7 mt-10 -77.85 -127.5 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.814 0.34 . . . . 0.0 110.314 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.512 ' HG ' HG22 ' A' ' 129' ' ' THR . 0.4 OUTLIER 81.64 101.89 0.06 Allowed 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.553 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 11.7 p -94.87 168.04 11.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.832 179.033 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -54.63 -37.1 65.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.255 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -52.74 -50.98 62.35 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.095 0.474 . . . . 0.0 110.748 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -62.46 -38.04 88.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.192 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 94.1 t -59.98 -44.39 94.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.007 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -58.31 -41.81 85.32 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 6.3 m170 -64.09 -43.16 96.23 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.888 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -57.57 -43.92 84.89 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.146 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 10.6 ttmm -62.87 -37.38 86.64 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.471 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -71.14 -42.73 68.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.603 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -61.45 -45.31 94.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.722 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 54.4 mtt-85 -64.31 -43.65 94.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.961 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 31.2 t90 -65.23 -46.81 79.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.579 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 9.4 ttmm -64.04 -34.4 77.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.824 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -63.13 -50.38 70.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.588 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 56.7 p -75.25 -41.24 57.86 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.183 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -51.81 -50.53 60.61 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.232 -178.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 84.1 mt -67.41 -44.01 87.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.727 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 46.8 t60 -63.71 -45.15 91.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.764 -178.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 154' ' ' ASN . . . . . 0.441 ' ND2' ' OE1' ' B' ' 166' ' ' GLU . 20.3 t-20 -62.87 -42.88 99.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.475 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 84.4 m -65.74 -33.86 76.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.21 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.517 ' O ' HD12 ' A' ' 156' ' ' LEU . 0.9 OUTLIER -60.92 -46.12 91.93 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 121.084 0.469 . . . . 0.0 110.096 179.609 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 31.7 mttm -64.36 -36.36 83.88 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.689 -178.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -69.6 -18.87 63.65 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.668 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 83.96 46.26 6.01 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -129.04 141.83 51.1 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.958 0.408 . . . . 0.0 110.572 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 161' ' ' THR . . . . . 0.555 ' O ' HG23 ' A' ' 161' ' ' THR . 11.3 t -78.61 123.34 85.52 Favored Pre-proline 0 CA--C 1.541 0.601 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.751 -179.38 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_exo -46.62 166.6 0.07 OUTLIER 'Trans proline' 0 N--CA 1.495 1.575 0 C-N-CA 122.52 2.147 . . . . 0.0 112.358 179.16 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 C--O 1.233 0.202 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.34 179.887 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 -0.049 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -131.24 150.71 77.26 Favored Pre-proline 0 CA--C 1.536 0.411 0 C-N-CA 121.197 -0.201 . . . . 0.0 110.626 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -77.78 163.01 29.32 Favored 'Trans proline' 0 C--N 1.314 -1.275 0 C-N-CA 122.84 2.36 . . . . 0.0 111.956 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 157' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -61.4 126.41 27.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.125 0.488 . . . . 0.0 109.783 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 24.7 mt -109.52 138.62 45.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.506 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -84.16 114.17 21.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.05 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 160' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -57.71 -34.57 69.59 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.19 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 161' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -67.0 -62.69 1.31 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.316 0.579 . . . . 0.0 111.492 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 162' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' B' ' 162' ' ' ASP . 0.7 OUTLIER -62.21 -38.65 89.97 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.796 -179.47 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 15.9 tp -56.87 -43.31 81.09 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 123.427 0.454 . . . . 0.0 110.434 -178.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.06 -34.63 78.08 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.409 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 165' ' ' ALA . . . . . . . . . . . . . . . -61.1 -47.58 85.65 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.204 0.526 . . . . 0.0 111.288 -179.303 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 166' ' ' GLU . . . . . 0.441 ' OE1' ' ND2' ' A' ' 154' ' ' ASN . 0.0 OUTLIER -68.83 -39.2 80.12 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.115 -179.399 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 167' ' ' LEU . . . . . 0.444 HD13 ' O ' ' B' ' 167' ' ' LEU . 0.2 OUTLIER -60.97 -53.76 53.3 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.117 -0.633 . . . . 0.0 110.14 -178.478 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 168' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -53.7 -44.65 69.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.075 -178.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -58.2 -47.78 82.41 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.781 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 10.4 tp -57.68 -46.29 84.48 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.384 -178.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -54.37 -42.81 75.52 Favored Glycine 0 CA--C 1.525 0.67 0 C-N-CA 120.461 -0.876 . . . . 0.0 111.102 -179.031 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 172' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.0 -47.13 86.18 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.071 0.462 . . . . 0.0 111.226 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -59.94 -51.68 68.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.58 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 174' ' ' LEU . . . . . 0.406 ' N ' HD12 ' B' ' 174' ' ' LEU . 9.0 mp -63.4 -34.27 77.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.274 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 4.9 tt -61.7 -32.1 72.28 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.699 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.965 -179.791 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 182' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 . . . . . 0 C--O 1.236 0.359 0 CA-C-O 120.835 0.35 . . . . 0.0 110.505 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 183' ' ' LEU . . . . . 0.626 ' O ' HD23 ' B' ' 183' ' ' LEU . 2.0 tt -60.38 -45.09 94.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.132 0.491 . . . . 0.0 109.962 -179.261 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 184' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -67.19 -27.11 66.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.832 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -63.89 -54.17 39.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.476 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 186' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.069 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.519 HD12 ' N ' ' A' ' 4' ' ' LEU . 10.1 mp . . . . . 0 CA--C 1.515 -0.399 0 CA-C-O 121.203 0.525 . . . . 0.0 110.501 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.39 150.69 32.13 Favored Pre-proline 0 N--CA 1.445 -0.692 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.03 -178.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_exo -59.46 148.45 86.88 Favored 'Trans proline' 0 N--CA 1.501 1.954 0 C-N-CA 122.618 2.212 . . . . 0.0 112.647 178.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 19.4 mt -73.27 154.33 90.26 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.637 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -55.22 166.92 2.03 Favored 'Trans proline' 0 N--CA 1.493 1.494 0 C-N-CA 122.526 2.151 . . . . 0.0 112.283 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -40.54 125.65 2.04 Favored 'Trans proline' 0 C--N 1.312 -1.36 0 C-N-CA 122.445 2.097 . . . . 0.0 111.749 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.8 tt -93.33 113.76 60.97 Favored Pre-proline 0 CA--C 1.543 0.696 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.742 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -76.77 161.5 33.47 Favored 'Trans proline' 0 N--CA 1.494 1.517 0 C-N-CA 122.639 2.226 . . . . 0.0 112.304 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.74 -21.35 62.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.329 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -54.57 -42.06 70.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.525 ' HB3' HD11 ' A' ' 17' ' ' ILE . 57.2 m-85 -101.88 43.01 1.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.677 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -82.75 -28.36 30.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.89 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 83.5 p -70.01 -12.71 61.81 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.624 -179.141 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.525 HD11 ' HB3' ' A' ' 14' ' ' PHE . 41.2 pt -114.04 -1.56 9.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.446 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -56.35 -41.01 75.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.709 -179.005 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.5 m80 -58.87 -36.98 75.52 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.581 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -67.9 -45.42 74.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.385 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 63.0 mt -62.2 -41.29 98.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.64 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -68.98 -45.19 71.27 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.944 0.402 . . . . 0.0 111.063 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.8 m -62.66 -43.29 99.19 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.67 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 28' ' ' ASP . . . -63.55 -47.89 79.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.087 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 72.3 mm-40 -53.53 -41.27 66.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 0.0 110.777 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -68.82 -55.57 10.76 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.255 0.55 . . . . 0.0 110.113 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.489 ' O ' ' N ' ' A' ' 31' ' ' ASP . 0.9 OUTLIER -66.59 -18.67 65.49 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.98 -179.18 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 24' ' ' ALA . 41.4 t0 -57.77 -35.87 71.36 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.115 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 52.3 tttm -70.68 -39.36 73.57 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.334 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -83.59 -58.25 2.89 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 27' ' ' HIS . 53.7 m-20 -121.55 101.39 43.36 Favored Pre-proline 0 CA--C 1.543 0.68 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.168 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -72.31 -25.25 18.75 Favored 'Trans proline' 0 N--CA 1.492 1.384 0 C-N-CA 122.182 1.921 . . . . 0.0 111.702 -179.215 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 62.2 t -64.3 -48.31 85.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.025 0.44 . . . . 0.0 110.656 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 97.3 t -64.71 -44.07 96.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.714 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.56 -36.7 83.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.524 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -58.89 -50.83 72.53 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.071 0.462 . . . . 0.0 110.014 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -68.86 -37.29 79.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.491 179.324 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 5.6 t -58.57 -48.39 81.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.478 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.46 -41.52 97.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.978 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 tp -57.64 -44.48 85.63 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.178 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -58.31 -43.68 88.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.219 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.15 -51.03 71.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.538 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 44.1 ttp -55.95 -45.85 78.73 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 121.084 0.469 . . . . 0.0 110.305 -178.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -63.27 -47.47 82.25 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.757 0.789 . . . . 0.0 110.917 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.8 m -68.46 -23.02 64.54 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.334 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -67.77 -48.37 55.85 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.482 ' HG3' ' N ' ' A' ' 48' ' ' LYS . 2.2 ptt? -65.17 -35.64 81.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.04 0.448 . . . . 0.0 110.216 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.482 ' N ' ' HG3' ' A' ' 47' ' ' MET . 51.0 mttp -65.31 -43.51 90.82 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.576 -179.497 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 79.0 mt -69.51 -48.24 67.54 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.137 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.431 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.482 ' OD2' ' SG ' ' A' ' 56' ' ' CYS . 0.3 OUTLIER -67.92 176.84 2.39 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 121.142 0.496 . . . . 0.0 110.04 -178.762 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.3 t -136.0 49.21 2.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.763 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 49.3 tttp 59.31 89.55 0.06 Allowed 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.436 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -143.6 150.86 52.27 Favored Pre-proline 0 CA--C 1.533 0.318 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.529 179.522 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -45.42 -43.46 17.43 Favored 'Trans proline' 0 C--N 1.313 -1.296 0 C-N-CA 122.254 1.97 . . . . 0.0 112.431 179.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 21.4 mp0 -59.68 -55.86 29.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.604 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.553 ' SG ' HD13 ' A' ' 60' ' ' LEU . 46.6 t -61.76 -33.63 74.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.469 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -58.39 -49.63 76.58 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.775 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.444 ' O ' ' OG ' ' A' ' 61' ' ' SER . 63.0 mttp -69.15 -40.87 77.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.178 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -61.75 -49.82 74.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.332 -178.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.553 HD13 ' SG ' ' A' ' 56' ' ' CYS . 7.4 mp -64.17 -40.38 95.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.358 179.243 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.444 ' OG ' ' O ' ' A' ' 58' ' ' LYS . 80.6 p -58.97 -44.52 91.54 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.496 -0.482 . . . . 0.0 110.374 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -68.1 -44.34 76.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.993 0.425 . . . . 0.0 110.679 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 33.6 tp -62.6 -41.47 98.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.334 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.44 ' C ' ' SD ' ' A' ' 64' ' ' MET . 14.4 tmm? -62.66 -40.25 96.47 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.666 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -62.12 -40.94 97.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.577 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -63.16 -38.52 91.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.372 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mt -61.26 -43.63 98.56 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.586 -0.445 . . . . 0.0 110.457 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -66.13 -40.53 90.72 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.197 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.96 -43.35 88.2 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.301 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.501 HD13 ' O ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -57.79 -43.8 85.83 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.264 -0.574 . . . . 0.0 109.601 -178.068 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -61.49 -39.82 92.34 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.685 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.1 tptt -65.53 -38.74 90.53 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.857 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -58.66 -47.8 83.23 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.563 -179.29 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.421 HD13 HD22 ' A' ' 77' ' ' ASN . 54.7 mt -67.1 -30.18 70.14 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.409 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.98 -84.49 0.69 Allowed Glycine 0 CA--C 1.518 0.219 0 N-CA-C 111.63 -0.588 . . . . 0.0 111.63 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -117.65 97.61 5.95 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.907 0.385 . . . . 0.0 111.443 -179.265 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.421 HD22 HD13 ' A' ' 74' ' ' LEU . 48.1 t-20 -129.26 117.97 21.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.987 -0.552 . . . . 0.0 109.902 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.532 ' H ' ' CD ' ' A' ' 78' ' ' GLU . 40.6 mp0 -62.46 -45.49 92.82 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.651 -178.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.406 ' HA ' HG13 ' A' ' 85' ' ' VAL . . . -56.6 -24.8 50.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.386 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 39.4 mm -98.98 -48.24 12.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.658 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 34.5 p -62.05 -31.64 72.07 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.858 -179.177 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -125.76 117.33 23.2 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.24 0.543 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -64.56 -24.97 67.78 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.395 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 58.3 mt -53.15 -58.63 2.63 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-O 121.095 0.474 . . . . 0.0 110.707 -179.321 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.429 ' H ' HG12 ' A' ' 85' ' ' VAL . 1.7 p -73.32 -32.05 36.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.23 179.196 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.593 ' O ' ' ND1' ' A' ' 89' ' ' HIS . . . -61.07 -38.1 94.99 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.344 -1.103 . . . . 0.0 110.344 -179.587 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 20.8 t -72.66 -49.27 32.8 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.026 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.14 -49.28 64.02 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.629 -179.449 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.593 ' ND1' ' O ' ' A' ' 86' ' ' GLY . 0.1 OUTLIER -59.88 -45.77 91.45 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.163 0.506 . . . . 0.0 110.019 179.602 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.515 ' N ' ' CG ' ' A' ' 89' ' ' HIS . 0.7 OUTLIER -58.81 -43.38 90.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.25 -178.77 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.47 -44.13 95.35 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.263 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -64.47 -43.22 94.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -62.15 -47.68 83.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.65 -41.77 83.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.0 tp -61.66 -44.05 97.7 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.459 -179.083 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -64.89 -39.59 93.76 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.769 -179.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 36.0 ttm -64.79 -47.51 77.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.693 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -58.06 -47.54 82.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.511 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -61.36 -40.09 93.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.837 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.421 ' CE2' ' OE2' ' A' ' 104' ' ' GLU . 37.8 t80 -53.65 -49.04 68.79 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 120.326 -0.55 . . . . 0.0 110.048 -179.223 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.412 ' HB1' ' CE2' ' A' ' 118' ' ' PHE . . . -69.54 -41.75 75.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.155 0.502 . . . . 0.0 110.865 179.449 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -63.84 -36.46 83.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.484 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -65.41 -43.58 90.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.561 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.421 ' OE2' ' CE2' ' A' ' 100' ' ' TYR . 39.5 mt-10 -66.79 -38.37 86.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.598 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -60.07 -48.7 80.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.143 0.497 . . . . 0.0 110.769 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -61.58 -41.63 97.69 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.35 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.33 -4.94 2.95 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.368 -179.184 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 77.5 32.93 45.08 Favored Glycine 0 C--N 1.331 0.257 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 -111.22 107.9 17.36 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.739 0.304 . . . . 0.0 110.786 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.508 ' O ' ' CG ' ' A' ' 111' ' ' HIS . 30.3 m-85 -102.98 134.93 45.59 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.528 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.508 ' CG ' ' O ' ' A' ' 110' ' ' PHE . 32.3 m-70 -163.56 151.05 12.69 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 121.199 0.523 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 54.6 pttt -58.19 -26.9 63.35 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.119 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 44.2 m-20 -64.08 -41.63 97.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.619 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 5.1 ptm -63.01 -37.63 87.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.999 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 88.7 mt -61.61 -45.01 99.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.93 -178.302 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -62.13 -40.28 95.39 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.762 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 52.1 m -60.46 -45.28 94.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.412 ' CE2' ' HB1' ' A' ' 101' ' ' ALA . 10.7 m-85 -61.13 -48.46 81.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.99 0.424 . . . . 0.0 110.368 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -61.56 -51.59 67.95 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 120.243 -0.583 . . . . 0.0 109.934 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 14.1 m -58.36 -39.89 80.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.08 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -57.28 -38.69 74.31 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.276 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 10.4 p -63.61 -41.75 98.28 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.564 0.697 . . . . 0.0 110.178 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 34.5 mt -61.18 -40.11 92.66 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.221 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 94.3 mt -63.13 -41.99 99.41 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.63 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 73.3 mt -57.78 -43.04 83.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 C-N-CA 120.211 -0.595 . . . . 0.0 110.195 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.42 ' O ' ' OG1' ' A' ' 129' ' ' THR . 79.8 m-20 -60.78 -39.81 90.22 Favored 'General case' 0 C--O 1.243 0.727 0 CA-C-O 121.725 0.774 . . . . 0.0 109.486 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.645 ' O ' HG22 ' A' ' 130' ' ' VAL . 53.4 t -58.74 -32.66 47.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.372 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 60.6 mt -73.95 -43.23 52.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.147 0.498 . . . . 0.0 110.753 178.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.507 HG22 HD13 ' A' ' 134' ' ' LEU . 77.6 p -51.74 -36.93 49.03 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.592 -177.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.645 HG22 ' O ' ' A' ' 127' ' ' VAL . 3.6 m -41.58 -32.21 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.924 179.609 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -65.24 -40.14 93.64 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.532 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 129' ' ' THR . . . 96.79 -46.73 1.73 Allowed Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 23.6 mp0 -79.19 63.02 3.72 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 120.748 0.309 . . . . 0.0 111.163 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.681 ' O ' HD23 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -112.44 145.83 39.47 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 121.676 0.75 . . . . 0.0 110.297 179.449 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.402 ' H ' HG22 ' A' ' 135' ' ' THR . 2.8 t -75.33 147.73 39.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.132 178.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' ASP . . . . . 0.535 ' O ' HG22 ' A' ' 139' ' ' VAL . 31.9 t70 -59.73 -38.85 82.83 Favored 'General case' 0 C--O 1.216 -0.681 0 CA-C-O 121.667 0.746 . . . . 0.0 110.35 179.556 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 136' ' ' ASP . 44.7 mm-40 -45.34 -33.56 2.55 Favored 'General case' 0 C--N 1.307 -1.255 0 O-C-N 120.997 -1.064 . . . . 0.0 111.257 179.722 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -67.63 -52.65 35.77 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 120.996 0.427 . . . . 0.0 111.76 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' VAL . . . . . 0.577 HG13 HD21 ' A' ' 134' ' ' LEU . 2.1 m -60.53 -32.37 51.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.413 0.625 . . . . 0.0 110.28 -179.263 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -63.91 -48.78 75.24 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.241 0.543 . . . . 0.0 110.3 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -60.16 -32.88 71.46 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.053 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -43.91 97.25 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.054 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -60.01 -41.19 91.62 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -69.94 -41.45 74.54 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.304 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -58.92 -39.98 83.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.913 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -65.74 -46.4 79.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.641 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 11.8 t90 -62.74 -47.26 84.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.419 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt -63.21 -36.89 85.15 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.764 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -58.37 -49.98 75.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.945 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 48.9 p -72.52 -39.17 67.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.583 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -58.75 -46.09 88.24 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.443 -179.187 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 91.6 mt -67.46 -42.98 87.73 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 CA-C-O 121.405 0.621 . . . . 0.0 110.955 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -62.18 -51.21 68.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.022 -178.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -64.21 -27.91 69.39 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.721 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 3.2 m -62.18 -56.44 18.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.836 0.35 . . . . 0.0 111.599 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.479 ' HG ' ' N ' ' A' ' 157' ' ' LYS . 1.7 pp -67.45 -34.14 76.58 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 120.441 -0.504 . . . . 0.0 111.663 -179.466 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.479 ' N ' ' HG ' ' A' ' 156' ' ' LEU . 48.7 mtmt -65.38 -39.82 92.73 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.119 -179.464 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 60.0 m-20 -72.84 -10.18 59.51 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.518 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 84.89 36.41 11.47 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 110.534 -1.027 . . . . 0.0 110.534 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -138.64 122.38 17.57 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 120.958 0.409 . . . . 0.0 110.574 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 5.1 t -55.01 137.61 66.04 Favored Pre-proline 0 CA--C 1.541 0.597 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.985 -178.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -75.2 150.8 37.84 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 122.496 2.131 . . . . 0.0 111.71 179.18 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.311 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.22 0 N-CA-C 110.681 -0.968 . . . . 0.0 110.681 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -141.17 151.55 62.14 Favored Pre-proline 0 CA--C 1.535 0.4 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.147 179.372 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_exo -54.24 -168.35 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.587 0 C-N-CA 122.321 2.014 . . . . 0.0 111.784 178.308 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 157' ' ' GLU . . . . . 0.442 ' CD ' ' N ' ' B' ' 157' ' ' GLU . 3.2 mp0 -100.82 118.67 37.36 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.334 179.492 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 4.1 mp -133.6 144.76 49.48 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.817 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -83.46 132.54 34.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.732 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 160' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -60.28 -42.52 95.61 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.279 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 161' ' ' ASP . . . . . 0.455 ' O ' ' HG3' ' B' ' 164' ' ' GLU . 5.5 t70 -64.74 -54.14 36.12 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.416 0.627 . . . . 0.0 110.675 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 162' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -60.27 -32.3 71.04 Favored 'General case' 0 C--N 1.315 -0.93 0 O-C-N 121.507 -0.745 . . . . 0.0 110.146 -179.459 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 41.2 tp -60.96 -43.06 99.29 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.535 -178.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 164' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' B' ' 161' ' ' ASP . 0.0 OUTLIER -67.56 -31.72 71.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.619 179.735 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 165' ' ' ALA . . . . . . . . . . . . . . . -60.88 -50.45 73.38 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.424 -178.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -40.38 85.85 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.946 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.26 -53.83 52.97 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 119.547 -0.861 . . . . 0.0 110.423 -177.363 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 168' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -53.23 -44.69 68.27 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -55.99 -49.47 73.54 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.929 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 5.8 tp -55.05 -47.22 75.08 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.267 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -55.43 -45.29 84.27 Favored Glycine 0 CA--C 1.525 0.67 0 C-N-CA 120.491 -0.861 . . . . 0.0 110.982 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 172' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -59.36 -44.15 92.73 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.514 0.673 . . . . 0.0 110.218 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -58.92 -55.55 33.75 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.459 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 8.7 mp -58.84 -35.76 73.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.346 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 24.8 tp -55.07 -43.05 73.54 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 120.288 -0.565 . . . . 0.0 109.703 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.575 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.37 -178.729 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 182' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 120.584 0.231 . . . . 0.0 110.57 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 183' ' ' LEU . . . . . . . . . . . . . 14.2 mt -58.71 -41.6 86.72 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.589 -0.445 . . . . 0.0 110.234 -178.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 184' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -64.58 -32.7 74.46 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -61.21 -60.31 3.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.525 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 186' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.428 -178.914 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.515 HD22 ' N ' ' A' ' 4' ' ' LEU . 3.7 mm? . . . . . 0 CA--C 1.516 -0.364 0 CA-C-O 121.198 0.523 . . . . 0.0 110.641 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.25 166.87 34.52 Favored Pre-proline 0 N--CA 1.447 -0.61 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.108 -178.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -62.31 153.09 72.66 Favored 'Trans proline' 0 N--CA 1.495 1.588 0 C-N-CA 122.852 2.368 . . . . 0.0 112.075 179.043 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.7 mt -99.38 148.12 34.24 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.405 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -54.55 173.86 0.22 Allowed 'Trans proline' 0 N--CA 1.495 1.583 0 C-N-CA 122.705 2.27 . . . . 0.0 111.982 178.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -47.24 162.1 0.21 Allowed 'Trans proline' 0 C--N 1.313 -1.295 0 C-N-CA 122.725 2.284 . . . . 0.0 111.488 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -107.31 100.66 34.63 Favored Pre-proline 0 CA--C 1.542 0.638 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.449 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -53.79 145.32 50.63 Favored 'Trans proline' 0 N--CA 1.495 1.61 0 C-N-CA 122.595 2.197 . . . . 0.0 111.958 178.228 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.92 -30.17 68.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.011 0.434 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.439 ' OE1' ' N ' ' A' ' 13' ' ' GLN . 4.3 mp0 -58.08 -38.47 76.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.882 0.372 . . . . 0.0 110.7 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.581 ' HB3' HD11 ' A' ' 17' ' ' ILE . 11.8 m-85 -95.72 33.6 1.63 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.048 0.452 . . . . 0.0 110.911 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -80.98 -30.8 34.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.562 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.0 t -69.85 -12.66 61.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.661 0.267 . . . . 0.0 111.095 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.581 HD11 ' HB3' ' A' ' 14' ' ' PHE . 47.6 pt -112.39 3.4 8.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-O 121.007 0.432 . . . . 0.0 110.479 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -56.96 -37.07 71.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.942 -179.405 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.418 ' HE2' ' C ' ' B' ' 171' ' ' GLY . 77.2 m80 -58.99 -38.71 79.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.558 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 55.1 m80 -65.81 -42.45 90.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.779 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 50.0 mt -62.83 -45.7 91.38 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.066 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.1 mmm-85 -64.0 -41.13 97.59 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.182 0.515 . . . . 0.0 110.202 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 34.2 m -60.97 -44.26 97.58 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.981 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.11 -38.85 89.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.534 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -54.44 -41.11 69.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.266 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -78.5 -51.25 10.24 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.367 0.603 . . . . 0.0 110.663 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.507 ' O ' ' N ' ' A' ' 31' ' ' ASP . 45.8 m80 -57.86 -23.94 55.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.864 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.74 -46.48 64.06 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.38 -179.665 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -79.79 -46.75 16.38 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.752 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -65.67 -59.22 4.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.06 -179.354 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 27' ' ' HIS . 1.2 m-20 -137.74 112.9 9.12 Favored Pre-proline 0 CA--C 1.538 0.51 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.111 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -71.08 -29.12 18.17 Favored 'Trans proline' 0 N--CA 1.492 1.386 0 C-N-CA 122.236 1.957 . . . . 0.0 112.168 -179.208 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 97.4 t -61.4 -47.25 94.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.616 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 95.2 t -67.43 -45.99 84.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.265 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.09 -40.85 95.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.745 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.547 ' N ' HH21 ' A' ' 39' ' ' ARG . 90.4 t80 -60.48 -50.97 71.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.026 0.441 . . . . 0.0 110.447 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -64.92 -40.9 95.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.347 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 44.5 t -55.34 -45.32 76.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.955 0.407 . . . . 0.0 110.299 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.547 HH21 ' N ' ' A' ' 36' ' ' TYR . 68.9 mtm180 -61.23 -41.11 96.31 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.034 179.515 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.1 tp -55.52 -45.41 77.12 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.473 ' CD1' ' C ' ' A' ' 41' ' ' TYR . 15.0 t80 -57.73 -46.48 84.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.267 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.76 -48.53 79.39 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 123.772 0.67 . . . . 0.0 111.035 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 48.0 ttp -60.95 -41.3 96.03 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 120.829 0.347 . . . . 0.0 110.875 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -59.12 -48.86 80.07 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.08 0.467 . . . . 0.0 111.472 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.8 t -73.4 -36.57 66.05 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.651 -0.419 . . . . 0.0 110.95 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -57.93 -54.87 33.99 Favored Glycine 0 CA--C 1.528 0.86 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.553 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -61.62 -37.72 85.01 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.31 -44.94 88.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.007 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.503 ' O ' ' O ' ' A' ' 50' ' ' ASP . 48.2 mt -84.03 -85.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.197 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.503 ' O ' ' O ' ' A' ' 49' ' ' ILE . 15.4 t70 55.17 135.78 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.206 0 O-C-N 123.772 0.67 . . . . 0.0 111.024 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.21 9.32 42.94 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 120.814 0.34 . . . . 0.0 110.258 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.3 mttt 56.11 67.67 0.97 Allowed 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.432 -179.445 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.519 HG23 ' H ' ' A' ' 56' ' ' CYS . 1.2 t -145.77 151.21 45.45 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.054 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -57.06 -35.49 98.94 Favored 'Trans proline' 0 N--CA 1.495 1.575 0 C-N-CA 122.431 2.088 . . . . 0.0 112.612 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -65.74 -52.77 48.46 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.35 0.595 . . . . 0.0 110.724 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.519 ' H ' HG23 ' A' ' 53' ' ' THR . 75.2 m -66.92 -40.03 87.52 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.388 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -57.36 -43.34 83.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.05 0.452 . . . . 0.0 110.526 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.7 tptt -62.99 -40.59 98.22 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.39 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -59.13 -44.38 92.02 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.227 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.12 -42.41 98.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.367 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.4 t -58.67 -46.27 87.57 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.704 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.8 mmtm -66.87 -40.86 87.96 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.292 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 33.0 tp -61.8 -47.04 86.92 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.897 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 49.3 ttm -67.34 -35.48 79.47 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.156 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -60.4 -42.77 96.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.93 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -65.46 -45.1 85.07 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.905 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.2 mt -54.01 -48.43 70.46 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.981 -178.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -63.37 -48.75 76.61 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.361 -0.536 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.56 -40.81 88.52 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.483 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.72 -44.93 96.01 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.742 -179.007 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -61.51 -42.18 98.41 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.112 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.71 -39.19 90.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.453 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -58.29 -46.83 85.37 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.45 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.4 mt -72.07 -30.02 64.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.584 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 92.37 -81.54 1.16 Allowed Glycine 0 N--CA 1.458 0.137 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.482 ' O ' ' O ' ' A' ' 77' ' ' ASN . 0.2 OUTLIER -127.36 -59.16 1.24 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.596 0.236 . . . . 0.0 111.017 -179.471 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.482 ' O ' ' O ' ' A' ' 76' ' ' ASP . 47.3 t-20 46.27 105.63 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.802 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.642 ' CD ' ' H ' ' A' ' 78' ' ' GLU . 3.2 mp0 -42.17 -41.35 2.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.977 0.418 . . . . 0.0 110.709 -179.537 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.67 -36.49 74.26 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.481 HD12 ' CD2' ' A' ' 36' ' ' TYR . 44.2 mm -88.42 -48.68 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.583 179.665 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.0 -54.55 10.83 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.942 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 78' ' ' GLU . 66.6 mt-30 -90.73 98.55 11.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.145 0.498 . . . . 0.0 110.356 -179.485 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.616 ' CD ' ' H ' ' A' ' 83' ' ' GLU . 2.0 pm0 -61.34 -21.26 63.85 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.088 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 7.4 mm -58.88 -52.44 60.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.966 0.412 . . . . 0.0 110.937 -178.661 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.5 m -72.54 -33.2 44.32 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -60.11 -40.33 97.01 Favored Glycine 0 C--N 1.335 0.511 0 N-CA-C 110.141 -1.184 . . . . 0.0 110.141 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.596 ' SG ' ' CZ ' ' A' ' 131' ' ' PHE . 89.5 m -65.69 -48.69 71.21 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 178.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.78 -36.55 74.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.368 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -64.23 -45.4 88.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.383 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.7 mt -62.01 -41.39 98.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.512 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -63.64 -46.19 86.76 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.211 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 -64.59 -45.27 87.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.497 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -62.82 -49.59 74.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.373 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.87 -41.07 97.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.147 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.9 tt -64.43 -41.25 96.69 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.722 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.542 ' NZ ' ' O ' ' B' ' 186' ' ' ALA . 25.3 ttpp -60.02 -44.81 94.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.591 -179.672 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 47.7 ttm -67.39 -43.88 80.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.595 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -60.41 -50.82 72.06 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -59.77 -41.82 91.9 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 120.831 0.348 . . . . 0.0 110.695 -179.078 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.403 ' O ' ' OD1' ' A' ' 103' ' ' ASN . 30.0 t80 -57.25 -50.41 72.98 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-O 121.211 0.529 . . . . 0.0 110.391 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.1 -39.13 79.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.108 0.48 . . . . 0.0 111.129 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.27 -42.66 99.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.314 -179.264 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.532 ' ND2' ' C ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -61.96 -45.84 91.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.262 0.553 . . . . 0.0 110.119 -179.874 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.486 ' N ' ' ND2' ' A' ' 103' ' ' ASN . 92.8 mt-10 -61.56 -34.16 75.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.759 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.519 ' OD2' ' NZ ' ' A' ' 148' ' ' LYS . 32.1 t0 -62.22 -56.42 18.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.18 -29.87 70.23 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.91 0.386 . . . . 0.0 110.708 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.89 -12.04 33.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.308 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 83.04 23.07 56.33 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.129 -0.789 . . . . 0.0 111.129 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -117.78 101.29 8.2 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 120.926 0.393 . . . . 0.0 110.108 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.585 ' CD1' ' N ' ' A' ' 110' ' ' PHE . 0.7 OUTLIER -110.42 142.45 42.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.614 -179.668 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.489 ' CG ' ' O ' ' A' ' 110' ' ' PHE . 76.9 m-70 -159.24 168.08 27.38 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.437 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -57.37 -37.05 72.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.283 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -64.99 -39.92 94.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.428 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 4.4 tmm? -56.8 -48.92 76.85 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.242 0.544 . . . . 0.0 109.906 -179.087 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 65.2 mt -61.38 -38.33 79.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.863 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -62.0 -37.74 85.98 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.608 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 23.1 t -61.86 -44.83 96.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.883 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -61.93 -45.39 93.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.895 0.379 . . . . 0.0 110.729 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -60.21 -48.51 81.44 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.36 0.6 . . . . 0.0 109.966 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 96.6 m -59.52 -42.35 92.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.035 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -53.94 -41.04 67.31 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 35.1 p -61.8 -40.51 95.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.303 0.573 . . . . 0.0 110.378 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 82.6 mt -62.23 -41.22 98.21 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.552 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.54 -39.33 94.13 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.293 0.568 . . . . 0.0 110.494 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 90.3 mt -60.12 -42.81 91.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 C-N-CA 120.227 -0.589 . . . . 0.0 109.613 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.578 ' O ' ' OG1' ' A' ' 129' ' ' THR . 0.8 OUTLIER -61.37 -39.86 92.18 Favored 'General case' 0 C--O 1.243 0.758 0 CA-C-O 122.077 0.941 . . . . 0.0 109.039 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.723 ' O ' HG22 ' A' ' 130' ' ' VAL . 57.0 t -57.55 -34.99 48.43 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.548 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 179.481 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 80.9 mt -71.56 -44.31 70.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.409 0.624 . . . . 0.0 110.783 178.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.578 ' OG1' ' O ' ' A' ' 126' ' ' ASP . 37.3 p -49.29 -36.2 20.15 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.047 0.451 . . . . 0.0 110.505 -178.113 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.723 HG22 ' O ' ' A' ' 127' ' ' VAL . 3.0 m -46.61 -15.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 C-N-CA 120.135 -0.626 . . . . 0.0 110.906 179.174 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.596 ' CZ ' ' SG ' ' A' ' 87' ' ' CYS . 25.2 m-85 -78.71 22.41 0.36 Allowed 'General case' 0 CA--C 1.513 -0.462 0 CA-C-O 120.805 0.335 . . . . 0.0 110.112 -178.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.418 ' H ' ' C ' ' A' ' 130' ' ' VAL . . . 87.35 -82.13 1.62 Allowed Glycine 0 CA--C 1.521 0.428 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.568 178.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -131.61 160.88 34.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.17 0.509 . . . . 0.0 110.503 -179.273 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.544 HD21 HG22 ' A' ' 129' ' ' THR . 0.3 OUTLIER -144.62 179.88 7.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.661 -179.563 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 7.2 t -83.0 153.23 25.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.35 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -58.57 -27.45 64.62 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.988 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -55.97 -47.04 78.4 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.308 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 47.2 m-20 -61.83 -60.78 3.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.075 0.464 . . . . 0.0 111.73 -178.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 23.1 m -51.52 -35.95 17.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.662 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -60.75 -46.99 88.3 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.602 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -61.9 -35.58 78.8 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.81 -44.75 93.84 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.356 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 16.8 ttmt -61.14 -43.94 98.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.323 -178.424 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -71.55 -36.12 70.85 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.287 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -60.87 -48.47 81.67 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.784 -179.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' ARG . . . . . 0.483 ' HG3' ' N ' ' A' ' 147' ' ' TRP . 9.8 ptp180 -71.05 -40.5 71.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.257 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 147' ' ' TRP . . . . . 0.483 ' N ' ' HG3' ' A' ' 146' ' ' ARG . 25.2 t90 -58.2 -52.32 66.06 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 120.947 0.403 . . . . 0.0 110.67 -178.697 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 148' ' ' LYS . . . . . 0.519 ' NZ ' ' OD2' ' A' ' 105' ' ' ASP . 26.8 tttm -62.02 -36.77 82.55 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.39 -179.392 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -52.69 -50.3 63.57 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.137 0.494 . . . . 0.0 110.254 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 22.2 p -70.81 -42.6 70.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.342 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -51.02 -50.17 59.06 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.503 -179.063 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.64 -42.69 95.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.194 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -64.63 -38.06 89.71 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.606 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -61.93 -42.32 98.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.375 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 91.5 m -66.49 -34.38 77.79 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.669 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.616 ' O ' HD23 ' A' ' 156' ' ' LEU . 4.0 tt -58.22 -50.26 74.17 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-O 121.258 0.552 . . . . 0.0 110.021 -179.588 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -63.61 -39.7 95.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.143 0.497 . . . . 0.0 110.669 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -69.74 -21.73 63.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.903 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 78.68 52.11 5.21 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -130.45 135.42 47.97 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 121.102 0.477 . . . . 0.0 111.069 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 6.6 m -56.1 129.33 73.16 Favored Pre-proline 0 CA--C 1.538 0.514 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.142 -178.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -63.9 142.36 81.7 Favored 'Trans proline' 0 N--CA 1.496 1.672 0 C-N-CA 122.301 2.0 . . . . 0.0 112.179 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 . . . . . 0 N--CA 1.462 0.155 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.33 179.866 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.23 0 N-CA-C 110.284 -1.126 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 1.2 p -123.94 151.62 65.21 Favored Pre-proline 0 CA--C 1.535 0.37 0 CA-C-O 120.623 0.249 . . . . 0.0 110.552 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.22 -171.77 0.65 Allowed 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 122.877 2.384 . . . . 0.0 111.815 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 157' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -82.23 100.0 9.62 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.041 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 12.5 mt -110.97 130.81 55.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.884 0.373 . . . . 0.0 110.691 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -68.23 135.16 51.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.16 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 160' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -66.23 -33.19 75.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 161' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.92 -49.47 70.28 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.108 0.48 . . . . 0.0 110.545 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 162' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -63.4 -41.08 98.73 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.611 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 12.8 mt -56.58 -48.09 78.13 Favored 'General case' 0 C--O 1.232 0.149 0 O-C-N 123.354 0.409 . . . . 0.0 111.247 -178.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -63.64 -35.31 80.12 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.317 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 165' ' ' ALA . . . . . . . . . . . . . . . -60.3 -46.92 88.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.116 0.484 . . . . 0.0 111.621 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.88 -45.36 71.2 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.538 -179.106 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.89 -58.28 9.34 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.115 0.483 . . . . 0.0 110.617 -178.161 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 168' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -52.14 -46.23 65.32 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.043 -178.496 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -58.54 -47.28 84.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.526 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 170' ' ' LEU . . . . . 0.448 ' HG ' HD13 ' B' ' 174' ' ' LEU . 53.8 tp -58.98 -44.3 91.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.161 -179.011 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 171' ' ' GLY . . . . . 0.418 ' C ' ' HE2' ' A' ' 19' ' ' HIS . . . -54.54 -44.21 78.22 Favored Glycine 0 CA--C 1.525 0.672 0 C-N-CA 120.498 -0.858 . . . . 0.0 111.075 -179.121 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 172' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -61.67 -42.7 99.28 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.195 0.521 . . . . 0.0 110.471 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -67.4 -38.35 84.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.125 0.488 . . . . 0.0 110.814 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 174' ' ' LEU . . . . . 0.448 HD13 ' HG ' ' B' ' 170' ' ' LEU . 3.9 mp -63.84 -41.3 97.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.677 -179.028 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 175' ' ' LEU . . . . . 0.688 ' O ' HD12 ' B' ' 175' ' ' LEU . 1.2 pp -87.62 -11.1 49.53 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.973 -179.278 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.248 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.462 -179.696 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 182' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 . . . . . 0 CA--C 1.521 -0.136 0 CA-C-O 120.599 0.238 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 183' ' ' LEU . . . . . . . . . . . . . 45.7 tp -60.29 -46.38 90.07 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 120.219 -0.593 . . . . 0.0 110.054 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 184' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -67.53 -28.17 67.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.086 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.02 -55.81 7.5 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.688 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 186' ' ' ALA . . . . . 0.542 ' O ' ' NZ ' ' A' ' 96' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.46 0 CA-C-O 120.844 0.354 . . . . 0.0 110.995 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.562 HD11 HD23 ' A' ' 70' ' ' LEU . 78.4 mt . . . . . 0 N--CA 1.463 0.207 0 CA-C-O 121.036 0.446 . . . . 0.0 110.505 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.83 156.04 74.61 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.537 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.2 143.99 45.4 Favored 'Trans proline' 0 N--CA 1.493 1.472 0 C-N-CA 122.734 2.289 . . . . 0.0 111.404 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.7 mt -93.37 146.79 32.51 Favored Pre-proline 0 C--N 1.329 -0.322 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.625 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -69.76 164.86 32.96 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 122.359 2.039 . . . . 0.0 112.372 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -52.41 128.32 27.3 Favored 'Trans proline' 0 N--CA 1.492 1.4 0 C-N-CA 122.691 2.261 . . . . 0.0 110.691 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 pp -90.09 131.55 38.67 Favored Pre-proline 0 CA--C 1.538 0.488 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.14 -179.161 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -47.58 153.35 2.19 Favored 'Trans proline' 0 N--CA 1.501 1.966 0 C-N-CA 122.362 2.041 . . . . 0.0 112.525 178.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.82 -23.06 28.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.669 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -62.23 -28.56 69.78 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.835 0.35 . . . . 0.0 110.651 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.482 ' HB3' HD11 ' A' ' 17' ' ' ILE . 20.5 m-30 -100.25 15.62 26.99 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.265 0.555 . . . . 0.0 110.869 -179.433 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.9 pttm -58.29 -26.78 63.39 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.58 178.447 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.8 t -68.67 -48.49 63.83 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.447 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.482 HD11 ' HB3' ' A' ' 14' ' ' PHE . 41.1 pt -76.61 -11.54 13.88 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.243 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.282 -179.375 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -50.89 -44.98 59.95 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.358 -179.413 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -65.01 -40.84 95.49 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.771 -0.371 . . . . 0.0 110.175 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.546 ' NE2' ' CG2' ' A' ' 127' ' ' VAL . 2.0 t-80 -62.55 -42.32 99.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.336 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 88.4 mt -63.39 -41.39 98.76 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.59 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.2 tpt85 -61.8 -43.86 98.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.008 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.6 m -60.96 -43.77 98.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.518 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 28' ' ' ASP . . . -55.27 -49.33 72.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.688 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -56.44 -42.85 78.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.503 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.487 ' OE1' ' N ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -66.12 -35.64 81.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.429 179.758 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.428 ' O ' ' N ' ' A' ' 31' ' ' ASP . 7.5 m80 -85.37 -18.61 33.24 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.568 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 24' ' ' ALA . 48.7 t0 -60.61 -43.15 97.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.836 0.35 . . . . 0.0 110.494 -179.478 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.1 ptpp? -68.37 -27.29 66.11 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.563 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -90.66 -64.79 1.08 Allowed 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.11 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 27' ' ' HIS . 41.5 m-20 -125.18 115.24 25.91 Favored Pre-proline 0 CA--C 1.538 0.503 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.139 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -72.48 -29.65 13.26 Favored 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 121.937 1.758 . . . . 0.0 111.997 -179.494 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 50.9 t -62.32 -46.25 96.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.004 -179.437 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 87.0 t -64.82 -47.06 90.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.261 179.349 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.1 -38.78 90.19 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.828 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -56.54 -49.33 75.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.895 0.379 . . . . 0.0 110.165 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -64.38 -38.93 92.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.337 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 66.5 m -58.24 -47.3 83.99 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.877 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.507 HH12 HD23 ' A' ' 70' ' ' LEU . 64.0 mtt180 -59.93 -44.35 94.38 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.438 ' O ' HD23 ' A' ' 40' ' ' LEU . 4.2 tt -60.68 -46.35 90.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.701 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.431 ' CD1' ' C ' ' A' ' 41' ' ' TYR . 2.9 t80 -52.97 -43.51 66.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.979 0.419 . . . . 0.0 110.148 178.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.5 -48.97 78.64 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.644 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.1 ttp -50.16 -63.54 1.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.834 0.35 . . . . 0.0 110.863 -178.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -54.0 -35.46 61.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.607 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 96.3 m -72.05 -40.01 68.66 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.324 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -62.79 -51.8 53.1 Favored Glycine 0 CA--C 1.527 0.784 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.858 -178.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.614 ' SD ' ' N ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -61.26 -37.95 84.95 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.855 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.614 ' N ' ' SD ' ' A' ' 47' ' ' MET . 23.7 tttp -61.62 -43.3 99.11 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.5 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.466 ' O ' ' O ' ' A' ' 50' ' ' ASP . 67.1 mt -75.89 -53.94 14.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.506 -179.583 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.466 ' O ' ' O ' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -48.16 -176.78 0.0 OUTLIER 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.367 0.603 . . . . 0.0 110.51 -178.576 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.4 m -162.46 58.29 0.22 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.705 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 91.4 mttt 63.34 101.23 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.342 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.448 ' CG2' ' SG ' ' A' ' 56' ' ' CYS . 3.7 t -165.52 146.61 5.99 Favored Pre-proline 0 C--N 1.327 -0.386 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.684 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -59.66 -39.77 70.99 Favored 'Trans proline' 0 N--CA 1.5 1.876 0 C-N-CA 122.291 1.994 . . . . 0.0 112.844 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.99 -58.5 8.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.972 0.415 . . . . 0.0 110.867 -179.418 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.448 ' SG ' ' CG2' ' A' ' 53' ' ' THR . 58.3 m -63.89 -39.75 94.92 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.704 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.0 ttm-85 -56.85 -45.86 82.15 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.697 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 44.5 tttp -65.43 -43.5 90.27 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.545 179.299 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -60.03 -46.62 88.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.784 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.433 HD13 ' O ' ' A' ' 56' ' ' CYS . 7.3 mp -64.13 -41.27 97.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.576 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 71.1 m -54.89 -47.21 74.59 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.544 -178.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -68.08 -41.97 81.09 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.689 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 41.7 tp -61.8 -43.8 98.13 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.519 -0.472 . . . . 0.0 110.411 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.438 ' SD ' ' OE2' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -64.71 -41.67 95.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.529 -179.636 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -62.61 -39.96 95.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.696 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -64.19 -39.25 93.59 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.508 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.5 mt -61.17 -42.29 98.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.936 0.398 . . . . 0.0 110.352 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.438 ' OE2' ' SD ' ' A' ' 64' ' ' MET . 96.7 mt-10 -63.75 -48.23 77.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.707 -179.511 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.78 -44.06 94.1 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.366 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.615 HD13 ' O ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -61.79 -41.85 98.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.235 0.541 . . . . 0.0 109.617 -179.536 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.9 tttt -55.85 -41.2 73.95 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -63.91 -44.44 92.95 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 120.728 0.299 . . . . 0.0 111.627 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -49.89 -55.15 15.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.952 0.406 . . . . 0.0 110.575 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.561 ' O ' ' N ' ' A' ' 76' ' ' ASP . 15.4 mt -66.76 -31.86 72.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.644 -179.432 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 46.57 -83.96 0.01 OUTLIER Glycine 0 CA--C 1.528 0.889 0 CA-C-N 116.11 -0.496 . . . . 0.0 112.054 178.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.561 ' N ' ' O ' ' A' ' 74' ' ' LEU . 69.3 m-20 -87.49 83.41 7.28 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.8 0.334 . . . . 0.0 111.138 -178.419 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.406 ' OD1' ' HB3' ' A' ' 79' ' ' ALA . 32.2 t-20 -143.58 119.36 10.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.803 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -72.38 -30.06 64.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.628 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.406 ' HB3' ' OD1' ' A' ' 77' ' ' ASN . . . -62.2 -37.17 84.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.329 -179.343 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.6 mp -87.47 -50.45 13.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.947 0.403 . . . . 0.0 110.405 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 75.9 p -63.55 -33.57 75.9 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.476 -178.169 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -121.36 112.73 18.94 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -65.25 -24.32 67.29 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.549 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.5 mt -49.8 -60.85 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.364 -178.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.442 ' H ' HG12 ' A' ' 85' ' ' VAL . 0.4 OUTLIER -72.75 -33.51 44.37 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.913 178.864 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.79 -44.77 96.71 Favored Glycine 0 CA--C 1.521 0.458 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 51.6 t -65.37 -45.84 82.52 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.47 -37.94 71.0 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.363 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -45.71 93.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.554 179.373 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.402 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.1 OUTLIER -61.54 -43.29 99.13 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.508 -177.28 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -58.87 -46.14 88.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.593 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -63.06 -45.55 91.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.727 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -65.05 -44.79 87.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.948 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.81 -42.41 98.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.685 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 69.0 mt -68.67 -38.8 80.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.742 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.52 ' NZ ' ' O ' ' B' ' 186' ' ' ALA . 11.9 tmtt? -61.82 -43.96 97.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.884 -179.393 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 11.0 tpp -65.53 -46.45 79.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.881 0.372 . . . . 0.0 110.609 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -57.47 -48.31 79.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.878 -178.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -59.19 -42.41 90.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.599 -179.182 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -55.25 -49.19 72.65 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.538 -0.465 . . . . 0.0 109.928 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.74 -44.48 70.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.888 0.375 . . . . 0.0 111.058 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -60.14 -40.46 89.88 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.193 -179.399 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -62.95 -43.95 97.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.475 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -65.77 -27.82 68.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.613 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.528 ' OD2' ' NZ ' ' A' ' 148' ' ' LYS . 18.1 t0 -69.06 -43.63 74.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.826 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -64.32 -38.46 91.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.978 0.418 . . . . 0.0 110.197 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.61 -9.18 8.06 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.283 -178.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 80.55 33.42 31.22 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.523 ' O ' ' SD ' ' A' ' 114' ' ' MET . 40.3 ttm180 -112.98 106.82 15.16 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.751 0.31 . . . . 0.0 110.549 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -108.69 134.14 51.82 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.093 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -157.37 163.44 38.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.386 0.612 . . . . 0.0 110.621 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.441 ' H ' ' HD2' ' A' ' 112' ' ' LYS . 6.0 mptt -64.06 -36.29 83.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.211 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.638 ' ND2' ' CE1' ' B' ' 182' ' ' TYR . 86.6 m-20 -61.06 -41.41 96.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.26 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.523 ' SD ' ' O ' ' A' ' 109' ' ' ARG . 19.1 mtp -62.88 -40.33 97.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.163 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 90.2 mt -59.45 -42.54 88.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 C-N-CA 120.333 -0.547 . . . . 0.0 109.904 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.497 ' HG3' HD21 ' B' ' 174' ' ' LEU . 82.2 tttt -63.88 -35.67 81.41 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.614 179.183 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 34.9 m -60.78 -45.15 95.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.782 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -61.66 -44.85 96.18 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.029 0.443 . . . . 0.0 110.329 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -56.92 -46.84 81.72 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.334 0.588 . . . . 0.0 109.537 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 7.1 m -57.52 -43.41 84.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.176 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -55.45 -42.71 74.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.845 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 83.1 p -60.42 -41.98 95.07 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 121.027 0.441 . . . . 0.0 110.682 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.5 mp -61.94 -42.34 98.99 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.696 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 9.0 mp -62.38 -40.55 96.82 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.6 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 83.2 mt -56.73 -43.85 80.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 C-N-CA 119.519 -0.872 . . . . 0.0 109.594 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -59.05 -40.56 85.51 Favored 'General case' 0 C--O 1.248 0.979 0 CA-C-O 121.64 0.733 . . . . 0.0 110.144 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.673 ' O ' HG22 ' A' ' 130' ' ' VAL . 88.4 t -58.1 -32.03 43.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.455 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 66.7 mt -72.85 -44.78 57.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.652 178.494 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.46 HG22 HD22 ' A' ' 134' ' ' LEU . 81.5 p -49.31 -34.77 16.42 Favored 'General case' 0 CA--C 1.513 -0.476 0 C-N-CA 120.704 -0.399 . . . . 0.0 110.32 -178.067 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.673 HG22 ' O ' ' A' ' 127' ' ' VAL . 4.8 m -42.29 -35.43 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 C-N-CA 120.237 -0.585 . . . . 0.0 111.03 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -63.02 -41.68 99.61 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 121.014 0.435 . . . . 0.0 110.563 -179.34 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 102.07 -17.68 53.64 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -102.02 66.26 1.02 Allowed 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.892 0.377 . . . . 0.0 110.407 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.46 HD22 HG22 ' A' ' 129' ' ' THR . 6.4 tp -94.45 123.44 37.87 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 -179.526 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 8.8 t -80.21 166.0 21.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.256 0.55 . . . . 0.0 110.475 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -58.86 -41.35 86.81 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.163 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -43.8 -49.4 8.14 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 120.835 0.35 . . . . 0.0 110.451 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.32 -39.63 92.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.155 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 85.5 t -59.81 -46.47 93.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.151 0.5 . . . . 0.0 110.463 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -63.23 -44.98 93.71 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.314 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 35.7 m170 -61.69 -42.14 98.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.164 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -52.0 -52.43 50.67 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.132 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 36.1 mmtm -67.57 -35.83 79.77 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.407 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -70.89 -41.43 71.33 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -62.28 -47.74 83.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.981 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -67.04 -40.69 87.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.567 179.394 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 17.9 t90 -56.81 -51.11 70.22 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.106 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' LYS . . . . . 0.528 ' NZ ' ' OD2' ' A' ' 105' ' ' ASP . 6.0 mmtp -60.03 -42.52 94.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.454 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -58.09 -47.78 82.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.991 0.424 . . . . 0.0 110.287 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 76.3 p -72.99 -44.73 60.71 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.198 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -50.17 -52.11 38.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.723 0.297 . . . . 0.0 110.266 -178.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 85.5 mt -63.3 -43.24 98.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.147 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 153' ' ' HIS . . . . . 0.46 ' CE1' ' OE2' ' B' ' 173' ' ' GLU . 82.4 t60 -63.07 -44.06 96.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.983 -179.698 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -64.35 -42.12 96.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.764 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 6.6 p -66.25 -32.96 74.69 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.351 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 1.3 tp -61.37 -47.09 87.43 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.082 179.155 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -64.12 -39.13 93.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.42 -178.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -67.45 -20.3 65.48 Favored 'General case' 0 C--N 1.317 -0.826 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.211 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 82.33 51.55 4.34 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 110.619 -0.992 . . . . 0.0 110.619 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -135.96 128.35 30.28 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.018 0.437 . . . . 0.0 110.213 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 161' ' ' THR . . . . . 0.56 ' O ' HG23 ' A' ' 161' ' ' THR . 14.8 t -53.97 121.94 32.25 Favored Pre-proline 0 CA--C 1.538 0.519 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.427 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -49.01 138.31 27.55 Favored 'Trans proline' 0 N--CA 1.497 1.733 0 C-N-CA 121.916 1.744 . . . . 0.0 112.421 179.292 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 . . . . . 0 N--CA 1.463 0.217 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.108 179.558 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.462 0 N-CA-C 110.362 -1.095 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.06 131.35 22.22 Favored Pre-proline 0 CA--C 1.545 0.751 0 C-N-CA 121.011 -0.276 . . . . 0.0 110.683 -179.33 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -45.9 167.15 0.06 OUTLIER 'Trans proline' 0 N--CA 1.496 1.631 0 C-N-CA 122.084 1.856 . . . . 0.0 111.957 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 157' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -83.46 107.99 16.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.638 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 25.7 mt -113.2 125.08 53.94 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -71.42 131.22 43.04 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 160' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -57.23 -38.66 74.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 161' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -67.15 -49.9 63.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.889 0.376 . . . . 0.0 111.051 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 162' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -63.93 -38.15 90.01 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.451 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 163' ' ' LEU . . . . . 0.54 ' O ' HD23 ' B' ' 163' ' ' LEU . 2.1 tt -59.84 -44.23 94.18 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.948 0.404 . . . . 0.0 110.168 -178.571 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -65.4 -35.59 81.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.007 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 165' ' ' ALA . . . . . . . . . . . . . . . -59.67 -46.84 87.82 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.058 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.21 -37.97 72.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.834 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.77 -56.1 20.56 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.24 -178.448 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 168' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -55.26 -43.12 74.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.238 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -57.74 -47.32 82.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.37 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 170' ' ' LEU . . . . . 0.411 HD12 ' OE2' ' B' ' 173' ' ' GLU . 2.8 tp -57.98 -43.68 86.68 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.114 -179.114 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -55.54 -42.82 85.15 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.699 -0.96 . . . . 0.0 110.699 -179.574 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 172' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -59.07 -49.54 77.5 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.896 0.379 . . . . 0.0 110.933 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 173' ' ' GLU . . . . . 0.46 ' OE2' ' CE1' ' A' ' 153' ' ' HIS . 1.5 pt-20 -67.2 -43.65 81.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.867 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 174' ' ' LEU . . . . . 0.497 HD21 ' HG3' ' A' ' 116' ' ' LYS . 3.4 tp -64.47 -39.47 93.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.329 -178.284 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 48.9 tp -60.27 -42.69 95.92 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.889 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.43 0 C-N-CA 120.53 -0.468 . . . . 0.0 111.588 -179.357 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 182' ' ' TYR . . . . . 0.638 ' CE1' ' ND2' ' A' ' 113' ' ' ASN . 15.6 m-85 . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.847 0.356 . . . . 0.0 110.186 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 183' ' ' LEU . . . . . . . . . . . . . 19.1 mt -61.96 -42.12 98.76 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.385 179.362 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 184' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -67.59 -35.96 79.96 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 121.017 0.437 . . . . 0.0 110.456 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -70.73 -43.28 69.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.864 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 186' ' ' ALA . . . . . 0.52 ' O ' ' NZ ' ' A' ' 96' ' ' LYS . . . . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.731 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.637 HD22 ' N ' ' A' ' 4' ' ' LEU . 3.6 mm? . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.02 0.438 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.559 ' HB1' ' HD2' ' A' ' 6' ' ' PRO . . . -64.73 162.4 36.63 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.131 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.559 ' HD2' ' HB1' ' A' ' 5' ' ' ALA . 58.8 Cg_endo -71.38 148.56 55.05 Favored 'Trans proline' 0 C--N 1.309 -1.55 0 C-N-CA 122.69 2.26 . . . . 0.0 111.915 179.515 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.9 mt -90.07 147.6 37.51 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.49 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -63.81 166.35 16.26 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.652 2.235 . . . . 0.0 112.196 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -41.22 135.8 2.59 Favored 'Trans proline' 0 C--N 1.312 -1.352 0 C-N-CA 122.473 2.115 . . . . 0.0 111.878 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.44 121.6 63.05 Favored Pre-proline 0 CA--C 1.54 0.56 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.762 -179.52 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -71.31 152.13 60.85 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.251 1.967 . . . . 0.0 111.938 178.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.73 -33.29 71.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.804 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -56.47 -34.86 67.29 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.637 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -93.85 29.6 2.04 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.141 0.496 . . . . 0.0 110.163 -178.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.6 ttmt -75.03 -32.01 61.47 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.664 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.0 m -54.91 -17.94 4.3 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.672 -178.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 44.9 pt -116.39 8.99 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.52 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.3 -52.94 63.48 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.234 -178.422 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.502 ' C ' ' HD1' ' A' ' 19' ' ' HIS . 6.8 t-80 -59.73 -37.81 79.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.05 0.452 . . . . 0.0 110.732 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -64.31 -39.21 93.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.599 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.484 ' CD2' HH12 ' A' ' 39' ' ' ARG . 71.7 mt -62.33 -44.32 96.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.214 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -61.69 -40.74 96.08 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.431 -179.342 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.3 m -60.51 -43.24 97.29 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.99 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.424 ' O ' ' OD2' ' A' ' 28' ' ' ASP . . . -65.6 -43.86 88.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.702 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -51.06 -41.37 59.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.291 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -79.45 -48.06 14.59 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.244 0.545 . . . . 0.0 110.945 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.427 ' O ' ' N ' ' A' ' 31' ' ' ASP . 0.3 OUTLIER -62.43 -20.55 64.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.615 -179.203 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.424 ' OD2' ' O ' ' A' ' 24' ' ' ALA . 6.7 m-20 -52.57 -41.83 63.95 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -88.41 -35.12 17.27 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.251 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.536 ' NH1' ' OD1' ' B' ' 184' ' ' ASP . 26.7 ttm-85 -70.57 -58.6 3.52 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.524 -0.471 . . . . 0.0 110.76 -178.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 27' ' ' HIS . 17.1 m-20 -135.01 114.88 11.9 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.72 -179.411 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -74.99 -30.02 7.62 Favored 'Trans proline' 0 N--CA 1.489 1.264 0 C-N-CA 122.286 1.991 . . . . 0.0 112.236 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 87.6 t -61.84 -49.89 82.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.55 -179.131 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.495 ' O ' ' SG ' ' A' ' 38' ' ' CYS . 64.3 t -68.33 -45.51 82.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.357 179.346 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.11 -39.52 82.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.799 -179.38 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.419 ' CD2' HD12 ' A' ' 80' ' ' ILE . 87.0 t80 -60.96 -50.14 74.6 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.065 0.46 . . . . 0.0 110.391 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -66.23 -34.94 79.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.375 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.495 ' SG ' ' O ' ' A' ' 34' ' ' VAL . 91.2 m -59.4 -45.21 92.12 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.095 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.484 HH12 ' CD2' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -61.4 -44.17 97.6 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.818 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.3 tp -58.68 -44.54 90.25 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.106 -0.638 . . . . 0.0 109.683 -179.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -55.05 -47.05 75.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.988 0.423 . . . . 0.0 110.083 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.29 -46.66 89.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.237 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 7.6 ttt -59.01 -43.72 91.57 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.613 -178.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -62.91 -44.57 95.72 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.251 0.548 . . . . 0.0 110.987 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.2 m -73.6 -43.26 60.12 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.085 0.469 . . . . 0.0 110.244 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.95 -52.72 37.64 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 -179.264 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.48 ' O ' ' O ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -65.69 -36.05 82.53 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.9 0.381 . . . . 0.0 110.146 179.459 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.479 ' N ' ' SD ' ' A' ' 47' ' ' MET . 15.8 tttp -63.29 -40.35 97.12 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.265 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 81.4 mt -66.8 -47.04 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.527 -179.485 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.649 ' OD2' HG22 ' A' ' 53' ' ' THR . 22.2 t70 -153.04 -135.37 0.06 Allowed 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 118.935 -0.555 . . . . 0.0 109.63 -179.556 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.574 ' CB ' ' O ' ' A' ' 50' ' ' ASP . 24.5 p 130.62 -35.85 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.96 0 O-C-N 124.187 0.929 . . . . 0.0 110.355 179.044 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -60.76 -47.78 84.76 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.257 -178.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.673 HG23 ' H ' ' A' ' 56' ' ' CYS . 12.0 t -56.94 136.77 79.74 Favored Pre-proline 0 C--N 1.32 -0.693 0 C-N-CA 120.388 -0.525 . . . . 0.0 111.087 -179.255 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.94 -35.96 73.18 Favored 'Trans proline' 0 N--CA 1.497 1.734 0 C-N-CA 122.117 1.878 . . . . 0.0 112.641 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -55.33 -47.54 75.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.863 0.363 . . . . 0.0 110.466 -178.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.673 ' H ' HG23 ' A' ' 53' ' ' THR . 17.9 t -71.11 -32.06 68.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.076 179.488 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 59.3 ttt-85 -55.62 -52.25 64.43 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.443 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -41.4 89.26 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.699 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -60.37 -47.44 86.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.467 -179.103 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.408 ' CD1' ' SG ' ' A' ' 56' ' ' CYS . 24.4 mt -63.81 -41.42 97.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.644 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 57.1 m -53.1 -50.13 65.08 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.86 0.362 . . . . 0.0 110.644 -178.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.431 ' NZ ' ' HB3' ' A' ' 5' ' ' ALA . 53.0 tptt -65.21 -43.61 91.0 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.449 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 36.2 tp -60.71 -42.9 98.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.262 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 37.7 ttm -65.51 -41.59 93.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.006 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -62.09 -39.41 92.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.331 -179.499 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -62.46 -42.93 99.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.446 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.7 mt -59.67 -45.43 92.09 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.611 -179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -67.22 -43.68 81.43 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.276 0.56 . . . . 0.0 110.232 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.409 ' O ' ' HG3' ' A' ' 73' ' ' GLN . . . -62.67 -46.15 89.54 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.631 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.547 HD13 ' O ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -58.16 -42.49 86.09 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.331 -178.332 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -59.85 -41.53 91.66 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.081 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -59.99 -41.15 91.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.569 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 9.3 mt-30 -61.89 -42.65 99.33 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.381 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.3 mt -79.32 -29.15 42.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.144 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.72 -88.0 1.05 Allowed Glycine 0 N--CA 1.451 -0.366 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.455 ' O ' ' O ' ' A' ' 77' ' ' ASN . 0.4 OUTLIER -110.9 -62.98 1.46 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.835 0.35 . . . . 0.0 110.685 -179.43 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.458 ' OD1' ' HB3' ' A' ' 79' ' ' ALA . 33.9 t-20 48.49 105.83 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.674 -179.207 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.405 ' H ' ' HG3' ' A' ' 78' ' ' GLU . 84.4 mt-10 -42.81 -50.97 5.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.303 -179.457 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.458 ' HB3' ' OD1' ' A' ' 77' ' ' ASN . . . -48.16 -27.72 2.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.686 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.419 HD12 ' CD2' ' A' ' 36' ' ' TYR . 49.4 mm -102.22 -50.38 9.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.01 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.13 5.23 1.27 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.532 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -156.21 102.16 2.1 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -58.1 -22.92 52.82 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.653 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 72.6 mt -58.44 -55.8 20.32 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.678 -178.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.466 ' H ' HG12 ' A' ' 85' ' ' VAL . 1.1 p -72.16 -34.25 49.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -55.85 -50.14 62.69 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -179.098 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.605 ' SG ' ' N ' ' A' ' 88' ' ' ALA . 15.8 p -63.19 -47.42 82.66 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.739 -0.384 . . . . 0.0 109.981 179.287 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.605 ' N ' ' SG ' ' A' ' 87' ' ' CYS . . . -55.78 -35.03 65.82 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.587 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -66.06 -43.47 87.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.128 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.7 mt -60.94 -41.16 95.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.929 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -62.53 -45.31 93.56 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.839 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -60.8 -42.37 97.48 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.366 -0.533 . . . . 0.0 110.916 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -63.46 -47.65 80.95 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.771 -0.371 . . . . 0.0 111.01 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.43 -46.69 85.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.985 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.5 -40.3 96.26 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.693 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -59.23 -44.74 92.32 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.318 -179.371 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 36.1 mmm -67.15 -42.75 83.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.047 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.478 ' CD2' ' OD2' ' A' ' 102' ' ' ASP . 38.8 t80 -63.4 -57.92 8.73 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.692 -179.174 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 99' ' ' LEU . 1.0 OUTLIER -53.74 -39.71 65.52 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.471 -179.111 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.432 ' CZ ' ' OE2' ' A' ' 104' ' ' GLU . 55.0 t80 -54.86 -48.15 73.31 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.854 -179.194 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.1 -38.87 86.43 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.989 179.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.478 ' OD2' ' CD2' ' A' ' 98' ' ' PHE . 80.4 m-20 -59.71 -46.85 87.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.789 -179.246 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -63.28 -44.07 96.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.625 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.432 ' OE2' ' CZ ' ' A' ' 100' ' ' TYR . 87.3 mt-10 -66.52 -31.74 72.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.566 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -68.38 -57.42 5.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.981 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 25.3 mtp-105 -64.33 -34.33 77.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.51 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.08 -12.1 35.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.452 -179.448 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 80.34 26.88 53.81 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 16.3 mmt85 -121.58 103.18 8.73 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.764 0.316 . . . . 0.0 110.227 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -99.88 141.82 32.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.329 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -154.03 169.9 22.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.677 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -62.43 -31.59 72.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.098 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -62.45 -33.6 75.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.56 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.442 ' HG2' ' N ' ' A' ' 115' ' ' ILE . 0.2 OUTLIER -57.89 -48.96 78.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.182 0.515 . . . . 0.0 109.613 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.442 ' N ' ' HG2' ' A' ' 114' ' ' MET . 53.4 mt -61.27 -44.82 99.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.553 -177.378 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.591 ' HD3' HD21 ' B' ' 174' ' ' LEU . 0.1 OUTLIER -62.31 -40.12 95.29 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.787 179.192 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 9.8 t -56.45 -51.35 68.74 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.831 -178.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -62.19 -47.3 85.11 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.484 -0.487 . . . . 0.0 110.854 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.429 ' CE1' ' CD2' ' A' ' 19' ' ' HIS . 44.3 t80 -60.94 -55.82 28.37 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-O 121.253 0.549 . . . . 0.0 110.689 -179.599 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 12.9 m -55.86 -44.38 78.02 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.247 -179.294 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -53.69 -37.58 63.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.102 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 6.5 p -62.42 -44.66 95.91 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-O 121.145 0.498 . . . . 0.0 110.901 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.9 mp -61.95 -39.88 93.65 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.161 0.505 . . . . 0.0 110.394 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 70.7 mt -62.27 -39.14 91.94 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.209 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 77.4 mt -59.68 -41.91 86.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.593 ' O ' ' OG1' ' A' ' 129' ' ' THR . 66.9 m-20 -59.43 -42.5 92.02 Favored 'General case' 0 C--O 1.245 0.856 0 CA-C-O 122.138 0.971 . . . . 0.0 109.912 179.608 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.646 ' O ' HG22 ' A' ' 130' ' ' VAL . 94.0 t -59.36 -33.15 50.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.338 179.165 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 89.3 mt -73.27 -44.31 55.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.632 178.265 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.692 HG22 HD11 ' A' ' 134' ' ' LEU . 36.6 p -48.25 -38.8 19.52 Favored 'General case' 0 CA--C 1.506 -0.737 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.508 -176.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.646 HG22 ' O ' ' A' ' 127' ' ' VAL . 4.3 m -41.56 -34.14 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.047 -0.661 . . . . 0.0 110.948 179.197 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -63.28 -46.43 86.84 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.43 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 107.84 44.06 1.25 Allowed Glycine 0 CA--C 1.527 0.839 0 N-CA-C 111.388 -0.685 . . . . 0.0 111.388 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -128.19 57.43 1.57 Allowed 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 121.007 0.432 . . . . 0.0 109.998 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.692 HD11 HG22 ' A' ' 129' ' ' THR . 4.1 mm? -84.92 90.04 7.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.057 0.456 . . . . 0.0 112.042 -178.551 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.49 145.83 24.15 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.395 179.47 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -39.24 -36.2 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.83 -179.432 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -57.67 -59.55 5.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.78 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' ASN . . . . . 0.511 HD22 ' CD1' ' A' ' 134' ' ' LEU . 0.3 OUTLIER -50.8 -47.5 59.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.248 0.547 . . . . 0.0 110.712 -179.29 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 139' ' ' VAL . . . . . 0.485 ' N ' ' CG ' ' A' ' 138' ' ' ASN . 70.2 t -60.76 -43.25 94.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.266 -178.816 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.6 -42.37 96.65 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.781 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 26.8 m170 -65.86 -43.86 87.16 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.196 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 9.8 tmm_? -58.67 -44.71 90.29 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.48 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -64.77 -38.13 89.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.819 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -69.71 -44.05 71.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.912 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -58.47 -41.71 85.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.854 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 66.7 mtp180 -69.83 -40.59 75.76 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.196 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 24.3 t90 -58.14 -51.46 69.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.836 0.351 . . . . 0.0 110.658 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 11.8 mmtm -61.99 -41.75 98.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.052 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -51.3 -52.63 43.46 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 120.719 -0.393 . . . . 0.0 111.103 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 36.2 p -69.19 -40.28 78.17 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.263 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -55.88 -48.34 75.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.948 0.404 . . . . 0.0 110.945 -178.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 36.8 mt -63.85 -44.97 98.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.508 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -55.5 -43.06 75.31 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.485 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -62.55 -38.03 88.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.503 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 155' ' ' CYS . . . . . 0.601 ' O ' ' OD1' ' A' ' 158' ' ' ASN . 80.6 m -60.21 -36.18 77.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.168 0.508 . . . . 0.0 110.037 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 156' ' ' LEU . 8.2 mp -67.68 -44.58 77.45 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 120.06 -0.656 . . . . 0.0 110.843 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -64.87 -43.36 93.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.442 -178.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 158' ' ' ASN . . . . . 0.601 ' OD1' ' O ' ' A' ' 155' ' ' CYS . 33.0 p30 -69.57 -19.97 63.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.547 -179.347 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 159' ' ' GLY . . . . . 0.562 ' N ' ' OD1' ' A' ' 158' ' ' ASN . . . 84.01 48.46 5.15 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.395 -1.082 . . . . 0.0 110.395 -178.503 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 160' ' ' GLU . . . . . 0.489 ' N ' ' OD1' ' A' ' 158' ' ' ASN . 58.4 mt-10 -141.61 159.77 41.53 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.82 0.343 . . . . 0.0 110.471 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 3.6 t -97.57 142.92 25.3 Favored Pre-proline 0 CA--C 1.535 0.383 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.297 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -68.75 155.15 69.7 Favored 'Trans proline' 0 N--CA 1.495 1.602 0 C-N-CA 122.512 2.142 . . . . 0.0 111.905 179.48 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 . . . . . 0 N--CA 1.464 0.23 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.079 179.777 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.259 0 N-CA-C 110.372 -1.091 . . . . 0.0 110.372 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.49 147.55 64.47 Favored Pre-proline 0 CA--C 1.535 0.38 0 CA-C-O 120.571 0.224 . . . . 0.0 110.424 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.74 -158.63 0.06 OUTLIER 'Trans proline' 0 N--CA 1.491 1.377 0 C-N-CA 122.653 2.235 . . . . 0.0 111.829 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 157' ' ' GLU . . . . . 0.538 ' N ' ' OE1' ' B' ' 157' ' ' GLU . 56.7 mp0 -99.32 117.55 34.01 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.886 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 34.6 mt -114.14 137.39 51.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.387 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -82.93 116.62 22.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.058 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 160' ' ' GLU . . . . . 0.653 ' H ' ' CD ' ' B' ' 160' ' ' GLU . 1.0 OUTLIER -54.88 -39.1 68.34 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.024 -179.412 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 161' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -62.9 -58.15 8.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.204 0.526 . . . . 0.0 110.636 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 162' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' B' ' 165' ' ' ALA . 29.9 m-20 -63.28 -48.3 78.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.435 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 14.3 tp -43.5 -49.55 7.3 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.438 -179.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -68.46 -31.24 70.4 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.971 -0.292 . . . . 0.0 110.786 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 165' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' B' ' 162' ' ' ASP . . . -65.81 -52.61 49.22 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 120.795 0.331 . . . . 0.0 111.507 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.29 -40.48 93.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.111 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.98 -50.99 68.6 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 119.841 -0.744 . . . . 0.0 110.362 -178.114 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 168' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -52.49 -46.04 66.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.235 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -60.47 -49.9 75.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.326 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 170' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' B' ' 174' ' ' LEU . 22.8 tp -59.58 -51.07 71.39 Favored 'General case' 0 C--O 1.218 -0.591 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 171' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' B' ' 175' ' ' LEU . . . -45.52 -55.24 7.05 Favored Glycine 0 C--O 1.223 -0.546 0 C-N-CA 120.296 -0.954 . . . . 0.0 111.535 -178.458 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 172' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.4 -52.13 65.89 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.542 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 -63.24 -52.01 63.9 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.523 -179.143 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 174' ' ' LEU . . . . . 0.597 ' C ' HD23 ' B' ' 174' ' ' LEU . 7.9 tt -63.21 -39.94 96.08 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.494 178.707 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 175' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' B' ' 171' ' ' GLY . 20.6 tp -46.6 -60.01 2.64 Favored 'General case' 0 C--O 1.215 -0.721 0 C-N-CA 120.045 -0.662 . . . . 0.0 110.701 179.48 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.447 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -177.733 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 182' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 . . . . . 0 C--O 1.237 0.415 0 CA-C-O 120.86 0.362 . . . . 0.0 110.537 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 183' ' ' LEU . . . . . 0.439 HD11 ' NZ ' ' A' ' 116' ' ' LYS . 7.9 mp -61.78 -40.61 95.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.569 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 184' ' ' ASP . . . . . 0.536 ' OD1' ' NH1' ' A' ' 30' ' ' ARG . 9.9 m-20 -69.74 -27.67 65.15 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.486 179.46 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -64.13 -51.18 65.17 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.552 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 186' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.898 -179.888 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.0 mt . . . . . 0 N--CA 1.466 0.327 0 CA-C-O 121.158 0.504 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.3 143.96 16.91 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.466 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.81 138.27 37.27 Favored 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.48 2.12 . . . . 0.0 112.042 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 mt -75.44 150.17 84.6 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.499 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.475 ' O ' ' O ' ' A' ' 9' ' ' PRO . 17.8 Cg_endo -57.38 166.06 5.02 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 122.408 2.072 . . . . 0.0 111.963 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.475 ' O ' ' O ' ' A' ' 8' ' ' PRO . 85.6 Cg_exo -39.18 168.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.313 -1.333 0 C-N-CA 123.03 2.487 . . . . 0.0 111.708 179.481 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.66 98.85 22.13 Favored Pre-proline 0 CA--C 1.537 0.443 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.91 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -48.91 157.72 1.52 Allowed 'Trans proline' 0 N--CA 1.49 1.316 0 C-N-CA 122.18 1.92 . . . . 0.0 112.08 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.12 -40.19 92.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.137 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.9 pm0 -68.15 -23.13 64.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.03 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.478 ' O ' ' N ' ' A' ' 16' ' ' SER . 18.9 m-30 -102.68 -13.9 16.91 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-O 121.302 0.572 . . . . 0.0 110.536 -179.531 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.2 tttp -46.89 -17.04 0.04 OUTLIER 'General case' 0 C--N 1.317 -0.834 0 C-N-CA 120.191 -0.603 . . . . 0.0 110.164 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 14' ' ' PHE . 39.1 p -70.83 -53.51 15.0 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.011 0.434 . . . . 0.0 111.061 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 29.5 pt -67.99 -3.09 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.601 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -56.45 -41.02 75.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.196 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 43.4 m80 -60.49 -44.39 96.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.057 0.456 . . . . 0.0 110.73 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.608 ' HD1' ' HG ' ' A' ' 38' ' ' CYS . 1.6 t-80 -66.8 -41.32 87.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.648 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 93.2 mt -62.24 -41.71 98.67 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.633 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.67 -41.84 99.3 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.045 0.45 . . . . 0.0 109.984 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.9 m -58.36 -43.62 88.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.211 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 28' ' ' ASP . . . -67.79 -39.49 84.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.718 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.3 mm-40 -52.81 -42.5 65.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.152 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -75.11 -53.42 8.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.889 0.376 . . . . 0.0 110.43 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.543 ' O ' ' N ' ' A' ' 31' ' ' ASP . 63.6 m80 -60.02 -18.36 45.69 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.647 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 24' ' ' ALA . 61.5 t0 -48.94 -41.38 33.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.571 -179.181 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -90.5 -9.83 45.87 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.921 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -106.69 -62.82 1.35 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.776 0.322 . . . . 0.0 110.983 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.543 ' N ' ' O ' ' A' ' 27' ' ' HIS . 73.0 m-20 -122.36 95.6 46.86 Favored Pre-proline 0 C--O 1.235 0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.157 -179.316 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -71.14 -28.21 19.13 Favored 'Trans proline' 0 N--CA 1.492 1.439 0 C-N-CA 122.264 1.976 . . . . 0.0 111.97 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 90.2 t -61.57 -47.22 94.39 Favored 'Isoleucine or valine' 0 C--O 1.239 0.513 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.539 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.8 t -67.53 -41.9 86.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.833 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.09 -39.93 91.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.747 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -60.51 -52.23 66.09 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 121.006 0.432 . . . . 0.0 110.602 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -62.99 -36.62 84.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.227 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.608 ' HG ' ' HD1' ' A' ' 20' ' ' HIS . 11.8 t -58.87 -46.28 88.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.502 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.4 mtt-85 -58.54 -41.94 86.68 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.486 ' O ' ' HG3' ' A' ' 43' ' ' MET . 7.1 tp -56.96 -43.19 81.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.885 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -59.86 -41.12 90.76 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.3 179.276 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.28 -59.67 4.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.527 -178.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.486 ' HG3' ' O ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -52.08 -39.4 59.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.72 -178.549 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -68.92 -41.72 77.76 Favored 'General case' 0 CA--C 1.523 -0.085 0 CA-C-O 121.105 0.478 . . . . 0.0 111.042 -179.137 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.4 m -72.15 -41.86 66.62 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.774 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -62.42 -49.58 72.66 Favored Glycine 0 CA--C 1.522 0.52 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.814 -178.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.494 ' O ' ' O ' ' A' ' 50' ' ' ASP . 9.3 ptt? -64.83 -36.98 86.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.36 . . . . 0.0 110.434 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.5 tptt -64.11 -45.85 86.78 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.526 -179.145 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 56.4 mt -64.59 -48.08 86.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.961 -179.546 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.494 ' O ' ' O ' ' A' ' 47' ' ' MET . 91.4 m-20 -96.92 -175.77 3.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.293 -179.491 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.1 p 176.63 -24.7 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.581 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.5 mttm -136.72 86.39 2.21 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.916 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -178.0 134.05 0.33 Allowed Pre-proline 0 C--N 1.324 -0.534 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.797 179.332 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.78 -32.29 18.77 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 122.181 1.921 . . . . 0.0 112.255 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -59.97 -59.68 5.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.144 0.497 . . . . 0.0 110.552 -179.027 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.01 -36.19 76.68 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.982 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 67.9 ttt-85 -55.45 -43.57 75.55 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.175 -178.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.427 ' O ' ' OG ' ' A' ' 61' ' ' SER . 42.1 tttp -63.61 -41.51 98.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.118 179.511 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -60.99 -44.21 97.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.517 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.5 mt -60.78 -44.37 96.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.689 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' A' ' 58' ' ' LYS . 79.3 p -56.96 -44.68 82.86 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.163 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.1 mmtm -63.45 -39.94 95.81 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.516 179.005 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.511 ' O ' HD13 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -61.07 -46.84 89.01 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.454 -178.938 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 1.8 mtt -64.48 -39.24 93.44 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.515 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -59.41 -45.47 91.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.558 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -66.26 -40.65 90.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.912 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.6 mt -56.86 -44.67 82.42 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.436 -0.506 . . . . 0.0 110.945 -179.016 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -66.42 -42.77 87.26 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.363 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.63 -40.98 88.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.642 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.19 -47.79 84.03 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.589 -178.73 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 51.4 tttm -59.75 -41.52 91.16 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.462 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -63.6 -41.44 98.33 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.719 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.56 -41.25 98.8 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.817 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 84.8 mt -78.04 -3.29 41.41 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.422 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.486 ' O ' ' CB ' ' A' ' 76' ' ' ASP . . . 50.85 48.77 43.82 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.935 179.236 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.508 ' O ' ' CB ' ' A' ' 77' ' ' ASN . 6.2 m-20 91.7 -100.58 0.0 OUTLIER 'General case' 0 CA--C 1.509 -0.612 0 O-C-N 124.398 0.705 . . . . 0.0 110.051 178.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' A' ' 76' ' ' ASP . 20.7 t-20 90.01 142.33 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.645 0 O-C-N 124.049 0.843 . . . . 0.0 110.019 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -65.33 -43.49 90.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.853 -179.323 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.469 ' HA ' HG13 ' A' ' 85' ' ' VAL . . . -58.69 -28.64 65.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.228 -178.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.551 HD12 ' N ' ' A' ' 80' ' ' ILE . 1.5 mp -93.65 -50.38 12.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.908 0.385 . . . . 0.0 111.121 -179.748 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 23.6 p -61.85 -50.1 73.6 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.005 -178.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -108.93 108.67 19.51 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.535 0.683 . . . . 0.0 110.491 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -60.85 -20.54 61.98 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.399 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 25.6 mm -54.85 -54.26 25.1 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.394 -178.404 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.469 HG13 ' HA ' ' A' ' 79' ' ' ALA . 2.3 p -71.05 -31.16 44.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.347 -0.388 . . . . 0.0 109.954 178.268 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.1 -43.52 96.97 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -68.74 -51.62 39.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.368 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.481 ' O ' ' ND2' ' A' ' 92' ' ' ASN . . . -53.99 -36.32 62.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.219 -179.472 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -66.26 -47.96 72.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.011 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.47 -44.44 97.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.931 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 73.2 tt0 -66.12 -49.67 66.7 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.732 -178.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 88' ' ' ALA . 3.8 m-80 -62.45 -42.26 99.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.674 -179.526 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -62.87 -45.78 90.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.346 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.99 -40.36 97.53 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.694 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 63.5 mt -62.82 -41.78 99.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.739 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -62.4 -44.48 96.34 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.307 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 37.4 tpp -67.6 -47.68 69.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.847 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.519 ' CG ' ' NE2' ' A' ' 141' ' ' HIS . 88.3 t80 -57.84 -51.39 69.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.343 -179.212 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 92.9 mt -61.59 -41.5 97.52 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.649 -179.421 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -50.96 -47.02 61.3 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.88 -39.24 79.9 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.938 0.399 . . . . 0.0 110.497 178.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -62.19 -42.16 99.02 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.159 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -63.72 -41.93 97.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.448 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -65.58 -34.9 79.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.116 -179.531 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -62.16 -46.88 87.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.619 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.78 -36.74 79.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.011 0.434 . . . . 0.0 110.522 179.363 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.06 -13.81 40.55 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.566 -0.454 . . . . 0.0 110.08 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 83.52 33.11 23.19 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -115.39 102.73 10.1 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.672 0.272 . . . . 0.0 110.341 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -103.54 133.37 48.68 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.856 0.36 . . . . 0.0 110.261 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.413 ' ND1' ' N ' ' A' ' 111' ' ' HIS . 0.1 OUTLIER -168.92 177.6 4.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.144 0.497 . . . . 0.0 110.596 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 32.9 mtmm -67.83 -16.47 64.12 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.815 179.174 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -62.6 -59.16 5.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.245 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 2.4 ppp? -61.77 -34.08 75.23 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.423 HD11 HG22 ' A' ' 152' ' ' ILE . 58.4 mt -60.54 -48.74 87.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 119.952 -0.699 . . . . 0.0 109.942 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -61.34 -35.29 77.01 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.331 -178.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 72.7 m -59.51 -47.79 84.14 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.055 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -61.44 -44.84 96.41 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.756 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -60.03 -53.72 54.46 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.087 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 15.0 m -55.75 -40.91 73.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.07 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -57.88 -41.81 83.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.645 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 56.4 p -60.45 -42.98 97.27 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 121.205 0.526 . . . . 0.0 110.969 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.1 mp -61.62 -39.48 91.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.211 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 91.4 mt -62.39 -37.12 84.51 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.395 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.467 ' O ' HG23 ' A' ' 129' ' ' THR . 86.4 mt -61.36 -43.49 96.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.472 ' O ' ' OG1' ' A' ' 129' ' ' THR . 2.4 m-20 -58.53 -41.97 86.72 Favored 'General case' 0 C--O 1.242 0.667 0 CA-C-O 121.305 0.574 . . . . 0.0 109.871 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.694 ' O ' HG22 ' A' ' 130' ' ' VAL . 60.2 t -59.17 -35.09 55.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.683 179.051 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 93.6 mt -71.25 -44.67 73.05 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.592 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.411 178.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.881 HG22 HD13 ' A' ' 134' ' ' LEU . 68.2 p -50.43 -36.99 35.66 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.578 -177.261 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.694 HG22 ' O ' ' A' ' 127' ' ' VAL . 2.1 m -48.89 -22.25 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 C-N-CA 120.445 -0.502 . . . . 0.0 111.181 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -60.38 -25.81 66.18 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.142 -178.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 90.8 12.64 60.39 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -112.43 -92.94 0.47 Allowed 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 120.866 0.365 . . . . 0.0 110.261 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.881 HD13 HG22 ' A' ' 129' ' ' THR . 13.1 tp 66.87 103.08 0.05 OUTLIER 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.138 179.378 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.19 165.67 14.31 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 179.381 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -53.13 -38.36 62.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.763 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -53.13 -49.58 66.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.788 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -62.47 -39.31 93.02 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.725 0.298 . . . . 0.0 110.765 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 49.1 t -61.0 -44.46 98.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -179.179 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -63.81 -36.63 84.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.72 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.519 ' NE2' ' CG ' ' A' ' 98' ' ' PHE . 22.1 t-160 -59.83 -45.58 91.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.598 -179.583 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 30.7 ttp180 -64.11 -42.27 96.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.533 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -56.46 -40.21 74.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.041 0.448 . . . . 0.0 110.544 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -75.4 -34.76 61.09 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.499 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -63.04 -46.17 88.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.173 -179.076 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' ARG . . . . . 0.643 ' O ' HG23 ' A' ' 150' ' ' THR . 50.1 ptt85 -70.33 -40.92 73.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.589 -179.687 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 147' ' ' TRP . . . . . 0.403 ' N ' ' HG3' ' A' ' 146' ' ' ARG . 9.4 t90 -59.95 -52.42 65.46 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 120.991 0.424 . . . . 0.0 110.562 -179.425 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 8.2 tptp -59.43 -56.63 19.6 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.244 -178.368 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -47.4 -45.57 25.47 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.949 0.404 . . . . 0.0 111.248 -179.138 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 150' ' ' THR . . . . . 0.643 HG23 ' O ' ' A' ' 146' ' ' ARG . 75.2 p -66.97 -43.99 81.63 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.393 -179.525 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 151' ' ' TYR . . . . . 0.489 ' O ' ' SG ' ' A' ' 155' ' ' CYS . 51.8 t80 -55.46 -44.81 76.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.57 -178.626 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 152' ' ' ILE . . . . . 0.423 HG22 HD11 ' A' ' 115' ' ' ILE . 38.6 mm -64.38 -43.98 97.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.641 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 153' ' ' HIS . . . . . 0.517 ' CE1' ' HE3' ' A' ' 157' ' ' LYS . 4.7 t-160 -64.92 -44.86 88.14 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.806 -178.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -65.08 -40.14 94.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.943 0.402 . . . . 0.0 111.014 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 155' ' ' CYS . . . . . 0.489 ' SG ' ' O ' ' A' ' 151' ' ' TYR . 91.8 m -64.75 -40.4 95.24 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.351 -179.114 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.682 ' C ' HD23 ' A' ' 156' ' ' LEU . 7.8 tt -61.81 -44.09 97.55 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.579 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.517 ' HE3' ' CE1' ' A' ' 153' ' ' HIS . 91.4 mttt -61.45 -40.5 94.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.099 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -79.98 -22.87 42.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.821 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 75.5 49.62 9.0 Favored Glycine 0 CA--C 1.529 0.92 0 N-CA-C 110.639 -0.984 . . . . 0.0 110.639 -179.176 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -121.19 135.38 55.16 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.952 0.406 . . . . 0.0 110.981 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 18.7 m -64.33 115.98 24.3 Favored Pre-proline 0 CA--C 1.535 0.404 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.604 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -75.94 147.7 30.86 Favored 'Trans proline' 0 N--CA 1.493 1.459 0 C-N-CA 122.287 1.992 . . . . 0.0 112.161 -179.438 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 . . . . . 0 C--N 1.331 -0.204 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.245 179.657 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.398 0 N-CA-C 110.37 -1.092 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 1.1 p -132.64 152.76 80.52 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 120.723 0.297 . . . . 0.0 110.407 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -67.22 -179.22 1.71 Allowed 'Trans proline' 0 N--CA 1.494 1.5 0 C-N-CA 122.801 2.334 . . . . 0.0 111.817 179.241 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 157' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -80.26 96.08 6.5 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 20.5 mt -104.6 126.45 51.7 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.726 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 159' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' B' ' 160' ' ' GLU . 65.0 t0 -86.37 132.13 34.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.122 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 160' ' ' GLU . . . . . 0.433 ' N ' ' OD1' ' B' ' 159' ' ' ASP . 14.2 pt-20 -59.51 -35.85 74.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.011 -179.524 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 161' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -64.28 -57.11 10.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.395 0.617 . . . . 0.0 110.651 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 162' ' ' ASP . . . . . 0.419 ' O ' ' CG ' ' B' ' 166' ' ' GLU . 98.5 m-20 -63.18 -41.27 99.19 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.264 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 163' ' ' LEU . . . . . 0.414 HD21 ' NH1' ' A' ' 146' ' ' ARG . 47.0 tp -52.4 -44.98 65.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.862 -179.17 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 71.0 tt0 -69.41 -33.42 72.97 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.549 -179.282 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 165' ' ' ALA . . . . . . . . . . . . . . . -62.27 -45.89 91.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.241 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 166' ' ' GLU . . . . . 0.419 ' CG ' ' O ' ' B' ' 162' ' ' ASP . 0.0 OUTLIER -66.88 -47.82 70.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.439 -179.445 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 167' ' ' LEU . . . . . 0.409 HD22 HG22 ' A' ' 150' ' ' THR . 0.1 OUTLIER -57.34 -48.3 79.35 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.206 -0.597 . . . . 0.0 110.313 -178.258 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 168' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -55.79 -47.67 76.68 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.282 -178.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -57.87 -46.07 85.4 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 38.2 tp -60.86 -43.94 97.69 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -49.08 -43.33 32.08 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.392 -1.083 . . . . 0.0 110.392 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 172' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -61.48 -48.71 79.86 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 121.608 0.718 . . . . 0.0 110.326 179.094 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -58.6 -42.76 88.87 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.749 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -68.5 -32.38 72.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.307 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 3.2 tp -56.05 -41.08 74.48 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.434 0 C-N-CA 120.169 -0.613 . . . . 0.0 110.818 179.603 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 182' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.358 0 N-CA-C 109.649 -0.501 . . . . 0.0 109.649 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 183' ' ' LEU . . . . . . . . . . . . . 25.5 mt -59.63 -43.17 93.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.972 -177.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 184' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -66.26 -32.26 73.58 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.43 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.6 -52.66 64.21 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 121.036 0.445 . . . . 0.0 110.406 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 186' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.986 -179.291 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.453 HD11 HD23 ' A' ' 70' ' ' LEU . 81.2 mt . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.894 0.378 . . . . 0.0 110.486 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.2 152.03 78.83 Favored Pre-proline 0 CA--C 1.538 0.488 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.373 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -65.94 146.98 84.25 Favored 'Trans proline' 0 N--CA 1.497 1.694 0 C-N-CA 122.517 2.144 . . . . 0.0 111.543 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 64.7 mt -99.63 145.04 29.43 Favored Pre-proline 0 CA--C 1.537 0.456 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.726 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -65.44 169.14 13.08 Favored 'Trans proline' 0 N--CA 1.499 1.799 0 C-N-CA 122.742 2.295 . . . . 0.0 112.472 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -45.11 140.54 7.4 Favored 'Trans proline' 0 N--CA 1.491 1.344 0 C-N-CA 122.081 1.854 . . . . 0.0 111.43 179.177 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 tt -95.29 114.26 63.4 Favored Pre-proline 0 CA--C 1.537 0.479 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.23 -179.009 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -74.14 150.26 42.37 Favored 'Trans proline' 0 N--CA 1.495 1.611 0 C-N-CA 121.75 1.634 . . . . 0.0 112.105 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.35 -20.22 1.64 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.251 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -53.41 -35.52 60.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.688 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -109.88 36.14 3.11 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.03 0.443 . . . . 0.0 110.994 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 56.5 tttp -68.84 -30.66 69.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.995 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.2 m -65.88 -48.39 71.67 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.688 -179.358 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 42.5 pt -81.48 -13.91 12.53 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 CA-C-O 121.092 0.473 . . . . 0.0 110.578 -179.024 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.402 ' OE1' ' N ' ' A' ' 19' ' ' HIS . 6.4 tm0? -51.23 -41.24 60.17 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.747 -178.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.402 ' N ' ' OE1' ' A' ' 18' ' ' GLN . 2.6 m-70 -56.43 -39.13 72.57 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.729 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.619 ' ND1' ' SG ' ' A' ' 38' ' ' CYS . 0.2 OUTLIER -68.74 -37.52 79.48 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.649 179.455 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.6 mt -61.9 -43.9 97.9 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.566 -0.453 . . . . 0.0 111.006 -178.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.451 ' HE ' ' N ' ' A' ' 22' ' ' ARG . 1.6 mmp_? -66.22 -42.11 89.14 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-O 121.427 0.632 . . . . 0.0 110.142 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 33.1 m -62.44 -43.39 98.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.897 179.593 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 28' ' ' ASP . . . -60.78 -48.79 80.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.616 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -50.08 -46.13 53.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.685 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -70.14 -52.17 25.64 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.636 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.532 ' O ' ' N ' ' A' ' 31' ' ' ASP . 3.5 m80 -61.01 -24.84 66.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.079 -179.549 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 24' ' ' ALA . 33.7 t0 -61.31 -41.19 96.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.78 0.324 . . . . 0.0 110.242 179.449 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.2 tptt -65.54 -44.55 86.52 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.229 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -84.17 -64.43 1.16 Allowed 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.304 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' A' ' 27' ' ' HIS . 5.5 m-20 -113.63 102.79 55.18 Favored Pre-proline 0 CA--C 1.54 0.591 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.88 -179.185 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -70.62 -28.14 21.5 Favored 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 121.739 1.626 . . . . 0.0 112.216 -178.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 57.3 t -62.81 -46.91 95.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.698 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 60.5 t -64.22 -45.38 96.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.23 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.28 -36.85 85.03 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.444 -0.503 . . . . 0.0 110.789 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -57.77 -55.3 36.67 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.062 0.458 . . . . 0.0 110.915 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -63.19 -31.17 72.25 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.72 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.619 ' SG ' ' ND1' ' A' ' 20' ' ' HIS . 7.3 t -60.58 -49.42 77.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.268 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.403 ' HD3' HH11 ' A' ' 39' ' ' ARG . 4.3 mpt_? -60.87 -39.54 89.55 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 tt -57.11 -45.78 83.17 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 119.952 -0.699 . . . . 0.0 110.079 -179.104 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.402 ' CE1' ' OG1' ' A' ' 45' ' ' THR . 10.3 t80 -56.53 -47.82 78.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.967 0.413 . . . . 0.0 110.491 179.237 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.25 -51.88 67.57 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.933 -178.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.456 ' C ' ' SD ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -51.0 -63.72 1.04 Allowed 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 120.79 0.328 . . . . 0.0 111.351 -179.365 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.405 ' HG3' ' N ' ' A' ' 45' ' ' THR . 3.8 pt20 -57.7 -37.75 74.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.835 -179.441 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.405 ' N ' ' HG3' ' A' ' 44' ' ' GLN . 91.2 m -69.16 -42.65 75.62 Favored 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 120.302 -0.559 . . . . 0.0 111.232 -179.175 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.06 -36.16 91.89 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.548 ' HG2' ' N ' ' A' ' 48' ' ' LYS . 2.2 ptm -66.16 -43.12 87.86 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-O 120.921 0.391 . . . . 0.0 110.221 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.548 ' N ' ' HG2' ' A' ' 47' ' ' MET . 95.9 mttt -64.2 -42.97 96.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.247 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 72.2 mt -64.83 -50.06 77.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 120.436 -0.506 . . . . 0.0 111.573 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 47' ' ' MET . 1.9 m-20 -94.69 -178.09 4.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.372 -179.541 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 57.7 m -166.31 -46.05 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.885 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -122.91 98.47 5.92 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -171.83 128.57 0.64 Allowed Pre-proline 0 C--N 1.324 -0.538 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.518 178.677 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -69.99 -33.94 14.75 Favored 'Trans proline' 0 N--CA 1.495 1.578 0 C-N-CA 121.698 1.599 . . . . 0.0 112.051 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.5 -46.12 84.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.043 0.449 . . . . 0.0 110.055 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 76.7 m -67.61 -37.54 82.67 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.193 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -59.09 -46.81 87.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.609 -179.234 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.5 ttpt -71.81 -39.73 69.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.262 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -58.46 -44.84 89.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.128 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 22.7 mt -64.06 -42.32 97.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.81 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.7 t -59.5 -43.89 93.25 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.697 -179.333 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.26 -43.66 97.35 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.425 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.5 tp -61.84 -38.97 90.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.027 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 43.1 ttp -58.74 -44.73 90.58 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -61.33 -38.43 86.84 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.264 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -65.93 -40.39 91.38 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.474 -0.49 . . . . 0.0 111.034 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.2 mt -58.87 -58.46 8.51 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.632 0.253 . . . . 0.0 111.37 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -62.44 -37.16 84.81 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.077 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.95 -49.15 77.78 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.459 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.575 HD13 ' O ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -60.13 -47.78 84.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.226 -178.79 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -57.59 -32.13 66.87 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.45 -0.5 . . . . 0.0 109.809 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.3 tptt -63.09 -44.36 95.93 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.701 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.408 ' HG3' ' H ' ' A' ' 73' ' ' GLN . 26.6 mt-30 -61.99 -45.21 94.6 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.985 0.421 . . . . 0.0 110.723 -179.108 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.518 ' O ' ' N ' ' A' ' 76' ' ' ASP . 45.2 mt -65.38 -29.75 70.5 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.272 -179.483 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 49.2 -84.2 0.01 OUTLIER Glycine 0 CA--C 1.524 0.653 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.065 179.163 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 74' ' ' LEU . 85.6 m-20 -94.95 81.15 3.7 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -178.195 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.426 HD22 HD13 ' A' ' 74' ' ' LEU . 60.5 t-20 -134.11 121.19 21.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.211 0.529 . . . . 0.0 110.795 179.165 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.481 ' C ' ' H ' ' A' ' 80' ' ' ILE . 21.9 mt-10 -71.77 -37.33 70.5 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.742 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.48 4.64 0.23 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.178 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.481 ' H ' ' C ' ' A' ' 78' ' ' GLU . 10.0 mm -134.3 -48.39 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 40.6 p -65.42 -41.82 93.17 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.467 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -109.28 109.1 19.92 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.322 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -21.33 57.02 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.63 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 58.3 mt -56.06 -56.05 15.05 Favored 'Isoleucine or valine' 0 C--O 1.238 0.493 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.227 -178.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.449 ' H ' HG12 ' A' ' 85' ' ' VAL . 1.6 p -73.94 -34.26 38.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.072 179.026 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.53 ' O ' ' ND1' ' A' ' 89' ' ' HIS . . . -57.52 -44.95 93.6 Favored Glycine 0 CA--C 1.52 0.375 0 N-CA-C 110.454 -1.059 . . . . 0.0 110.454 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 12.6 t -66.71 -48.37 69.44 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.579 179.287 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.71 -44.94 82.06 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.938 -179.377 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.53 ' ND1' ' O ' ' A' ' 86' ' ' GLY . 0.0 OUTLIER -59.56 -43.0 93.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.255 179.874 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.504 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -61.85 -45.14 95.08 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.413 -178.587 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -66.93 -41.5 86.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -63.78 -47.31 81.42 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 121.029 -0.268 . . . . 0.0 111.254 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -64.15 -45.12 89.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.896 0.379 . . . . 0.0 110.702 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.98 -41.94 90.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 29.8 tp -62.89 -45.0 94.6 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.271 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -61.53 -40.06 93.31 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.659 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 29.7 tpp -63.67 -50.05 70.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.975 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -59.63 -47.52 85.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -178.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -59.44 -40.94 88.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.499 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -59.08 -47.51 85.0 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.199 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.438 ' HB1' ' CZ ' ' A' ' 118' ' ' PHE . . . -68.86 -44.44 73.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.022 0.439 . . . . 0.0 110.941 179.625 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -62.25 -40.09 95.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.368 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -63.25 -41.22 99.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.729 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -62.42 -37.98 87.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.461 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -62.17 -47.98 82.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.95 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 56.3 ttp180 -63.44 -40.82 98.17 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.429 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.38 -6.11 3.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.714 -179.105 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 75.19 30.08 59.41 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 179.128 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.569 ' O ' ' SD ' ' A' ' 114' ' ' MET . 0.9 OUTLIER -106.67 111.51 24.09 Favored 'General case' 0 C--O 1.222 -0.391 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.751 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -100.32 135.07 42.32 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.25 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -164.79 149.99 9.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.14 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 46.6 pttt -59.76 -34.73 73.36 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 120.961 0.41 . . . . 0.0 110.978 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -55.44 -35.63 65.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.158 -179.635 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.569 ' SD ' ' O ' ' A' ' 109' ' ' ARG . 71.0 mtp -62.28 -42.05 99.02 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.791 -179.56 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 81.1 mt -60.96 -48.47 88.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.063 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -64.16 -34.91 79.15 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.261 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 6.5 t -61.05 -45.91 92.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.91 -179.624 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.438 ' CZ ' ' HB1' ' A' ' 101' ' ' ALA . 56.3 m-85 -64.28 -40.76 96.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.588 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -60.54 -50.24 74.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.024 0.44 . . . . 0.0 110.187 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 18.8 m -57.9 -41.59 82.91 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.292 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.412 ' O ' HG12 ' A' ' 125' ' ' ILE . . . -57.08 -45.07 83.63 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.123 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 39.1 p -60.26 -42.13 94.7 Favored 'General case' 0 C--O 1.244 0.808 0 CA-C-O 121.278 0.561 . . . . 0.0 111.645 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 62.9 mt -59.98 -39.88 87.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.729 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 97.8 mt -62.13 -41.22 98.05 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.104 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.505 HG21 ' HB3' ' A' ' 142' ' ' ARG . 28.5 mm -55.38 -44.71 76.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.067 -0.653 . . . . 0.0 109.359 -179.308 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -58.44 -43.32 88.72 Favored 'General case' 0 C--O 1.25 1.119 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.191 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.59 ' O ' HG22 ' A' ' 130' ' ' VAL . 67.5 t -58.19 -28.77 35.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.617 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.481 HD11 HD12 ' A' ' 90' ' ' LEU . 70.5 mt -77.23 -44.16 30.89 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.16 0 CA-C-O 121.06 0.457 . . . . 0.0 110.539 178.326 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.498 HG22 HD22 ' A' ' 134' ' ' LEU . 82.6 p -49.89 -34.03 19.0 Favored 'General case' 0 CA--C 1.516 -0.361 0 C-N-CA 120.201 -0.6 . . . . 0.0 110.429 -178.191 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.59 HG22 ' O ' ' A' ' 127' ' ' VAL . 5.4 m -41.41 -32.93 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 C-N-CA 120.155 -0.618 . . . . 0.0 111.122 179.241 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -63.01 -41.5 99.59 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.271 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 129' ' ' THR . . . 104.15 -32.75 7.2 Favored Glycine 0 N--CA 1.465 0.581 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -85.45 66.43 9.68 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.77 0.319 . . . . 0.0 110.155 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.498 HD22 HG22 ' A' ' 129' ' ' THR . 21.2 tp -86.4 122.18 30.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.261 -179.338 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.429 ' H ' HG22 ' A' ' 135' ' ' THR . 1.2 t -86.99 157.82 19.38 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.129 0.49 . . . . 0.0 111.0 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -56.63 -34.57 67.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.393 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 -48.23 -48.84 34.87 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.679 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -66.52 -39.4 88.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.423 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 58.1 t -59.98 -44.43 94.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.384 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.18 -41.0 70.89 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.584 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 3.4 m170 -66.82 -48.86 67.62 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.638 -178.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' ARG . . . . . 0.505 ' HB3' HG21 ' A' ' 125' ' ' ILE . 5.5 ppt_? -62.51 -38.06 88.46 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.345 -179.034 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -64.3 -40.19 95.43 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.94 0.4 . . . . 0.0 110.815 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -73.69 -40.13 63.86 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.688 -179.176 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -62.23 -42.21 99.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.32 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' ARG . . . . . 0.433 HH11 HH11 ' A' ' 142' ' ' ARG . 61.1 mtp180 -66.69 -40.88 88.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.451 179.526 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 22.7 t90 -62.48 -49.93 73.44 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.789 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 4.9 mmtm -63.35 -39.84 95.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.102 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -55.83 -53.13 60.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.603 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 62.0 p -71.8 -38.8 70.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.584 -179.391 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 151' ' ' TYR . . . . . 0.497 ' O ' ' SG ' ' A' ' 155' ' ' CYS . 62.3 t80 -51.07 -53.58 32.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.94 -178.554 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 57.9 mt -70.13 -45.39 76.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.52 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 153' ' ' HIS . . . . . 0.669 ' ND1' ' N ' ' A' ' 154' ' ' ASN . 0.0 OUTLIER -57.85 -57.18 13.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.801 -179.496 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 154' ' ' ASN . . . . . 0.669 ' N ' ' ND1' ' A' ' 153' ' ' HIS . 30.0 t-20 -59.78 -39.97 86.71 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.103 -178.489 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 155' ' ' CYS . . . . . 0.497 ' SG ' ' O ' ' A' ' 151' ' ' TYR . 56.3 m -58.06 -36.33 72.64 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 119.654 -0.818 . . . . 0.0 109.264 179.4 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.663 ' O ' HD13 ' A' ' 156' ' ' LEU . 2.7 tm? -64.61 -42.6 95.43 Favored 'General case' 0 N--CA 1.436 -1.169 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.709 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.407 ' H ' ' HG2' ' A' ' 157' ' ' LYS . 53.7 mmtt -63.92 -41.86 97.54 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.398 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -73.5 -15.91 61.3 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.58 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 81.1 45.73 7.41 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.56 -1.016 . . . . 0.0 110.56 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -120.13 142.64 48.74 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.725 0.297 . . . . 0.0 110.39 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 28.5 m -84.22 116.64 65.88 Favored Pre-proline 0 CA--C 1.544 0.74 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.925 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -54.43 153.28 23.29 Favored 'Trans proline' 0 N--CA 1.503 2.043 0 C-N-CA 121.909 1.739 . . . . 0.0 112.615 179.102 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 . . . . . 0 N--CA 1.464 0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.383 179.614 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.604 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.42 162.25 50.55 Favored Pre-proline 0 CA--C 1.535 0.386 0 CA-C-O 120.672 0.272 . . . . 0.0 110.481 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -66.73 -159.64 0.04 OUTLIER 'Trans proline' 0 N--CA 1.494 1.512 0 C-N-CA 122.439 2.092 . . . . 0.0 111.593 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 157' ' ' GLU . . . . . 0.54 ' CD ' ' H ' ' B' ' 157' ' ' GLU . 2.1 pm0 -102.3 115.09 29.84 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 158' ' ' LEU . . . . . 0.543 ' H ' HD12 ' B' ' 158' ' ' LEU . 0.0 OUTLIER -121.46 140.54 52.04 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 -179.257 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -79.64 144.14 34.04 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.076 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 160' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.14 -39.11 88.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.838 0.352 . . . . 0.0 110.97 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 161' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -64.45 -48.62 74.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.032 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 162' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -61.19 -37.12 81.8 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.596 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 12.2 mt -60.01 -43.25 95.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.245 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -63.98 -36.42 83.92 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.32 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 165' ' ' ALA . . . . . . . . . . . . . . . -59.01 -48.73 80.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.29 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.62 -43.86 83.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.818 -178.68 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.46 -54.05 50.16 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.892 -178.349 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 168' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -52.16 -47.58 65.38 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.196 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -61.84 -47.52 84.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.401 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 7.5 tt -56.66 -44.77 81.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.35 -178.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -59.98 -41.01 97.7 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 172' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -59.72 -43.76 94.01 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.489 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -63.19 -48.61 77.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.325 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 10.4 mp -64.51 -35.76 82.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.261 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 5.2 tp -59.5 -46.0 90.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.099 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.427 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.544 -179.991 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 182' ' ' TYR . . . . . . . . . . . . . 3.9 t80 . . . . . 0 CA--C 1.528 0.112 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 183' ' ' LEU . . . . . . . . . . . . . 89.7 mt -60.62 -43.48 97.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.399 -178.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 184' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -67.55 -33.79 75.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.092 0.473 . . . . 0.0 110.485 178.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -62.58 -55.64 25.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.549 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 186' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.356 0 CA-C-O 121.107 0.479 . . . . 0.0 110.412 -179.712 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.578 HD12 ' N ' ' A' ' 4' ' ' LEU . 9.4 mp . . . . . 0 CA--C 1.513 -0.447 0 CA-C-O 121.111 0.481 . . . . 0.0 110.671 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.94 154.48 68.05 Favored Pre-proline 0 N--CA 1.446 -0.658 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.148 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_exo -61.36 148.37 93.11 Favored 'Trans proline' 0 N--CA 1.501 1.922 0 C-N-CA 122.566 2.177 . . . . 0.0 112.199 179.026 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.2 mt -79.43 151.15 74.58 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.922 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo -56.54 167.38 2.84 Favored 'Trans proline' 0 N--CA 1.497 1.729 0 C-N-CA 122.586 2.191 . . . . 0.0 111.982 179.286 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -36.24 143.67 0.1 Allowed 'Trans proline' 0 C--N 1.313 -1.309 0 C-N-CA 122.912 2.408 . . . . 0.0 111.582 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.5 tp -102.95 106.82 52.57 Favored Pre-proline 0 CA--C 1.541 0.6 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.918 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -48.92 165.54 0.18 Allowed 'Trans proline' 0 N--CA 1.491 1.355 0 C-N-CA 122.335 2.024 . . . . 0.0 112.216 178.133 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.24 -41.39 61.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.783 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.41 -12.58 0.72 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.858 -179.299 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.461 ' HB3' HD11 ' A' ' 17' ' ' ILE . 34.7 m-85 -109.83 24.33 13.19 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.35 0.595 . . . . 0.0 110.727 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.92 -32.78 74.66 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.42 178.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.8 p -64.15 -48.05 77.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.833 0.349 . . . . 0.0 111.791 -179.169 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.461 HD11 ' HB3' ' A' ' 14' ' ' PHE . 44.8 pt -76.4 -16.23 15.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.521 -179.271 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -45.34 -46.39 12.98 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.528 -179.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -59.4 -43.35 92.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.971 0.415 . . . . 0.0 110.887 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 75.8 m80 -62.5 -41.61 98.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.925 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.0 mt -62.79 -47.57 82.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.806 0.336 . . . . 0.0 111.301 -178.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 50.0 mmm-85 -67.65 -37.33 82.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.859 0.361 . . . . 0.0 110.264 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 63.2 m -61.4 -43.95 97.99 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.182 179.5 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.531 ' O ' ' N ' ' A' ' 28' ' ' ASP . . . -66.86 -41.19 87.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.577 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -52.09 -46.78 65.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.496 -179.606 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -67.84 -46.01 73.01 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.642 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.558 ' O ' ' N ' ' A' ' 31' ' ' ASP . 0.8 OUTLIER -69.74 -22.95 63.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.544 179.81 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.531 ' N ' ' O ' ' A' ' 24' ' ' ALA . 55.2 t0 -58.95 -47.53 84.75 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.588 -179.436 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -63.5 -46.24 87.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.03 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 56.2 ttt85 -83.35 -62.3 1.62 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.903 0.382 . . . . 0.0 111.205 -179.562 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.558 ' N ' ' O ' ' A' ' 27' ' ' HIS . 28.7 m-20 -107.98 94.61 13.06 Favored Pre-proline 0 CA--C 1.54 0.566 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.18 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -69.21 -31.41 23.02 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 122.117 1.878 . . . . 0.0 111.978 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 69.3 t -65.49 -46.83 88.76 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.07 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 85.1 t -62.28 -43.98 98.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.949 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.49 -40.28 94.01 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.557 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -54.48 -50.79 66.93 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -65.76 -40.0 91.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.427 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 10.9 t -58.62 -45.93 88.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.574 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -58.74 -41.96 87.72 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 tp -56.05 -44.27 78.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.087 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -57.73 -46.03 85.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.093 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.49 -53.42 58.27 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.674 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.467 ' SD ' ' SD ' ' A' ' 47' ' ' MET . 10.3 tmm? -52.94 -46.91 68.37 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 120.855 0.36 . . . . 0.0 110.686 -179.175 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -58.51 -44.87 89.66 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.723 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.6 m -74.76 -24.83 58.75 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.761 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -71.54 -52.45 12.66 Favored Glycine 0 CA--C 1.527 0.795 0 C-N-CA 121.064 -0.588 . . . . 0.0 111.819 -179.648 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.467 ' SD ' ' SD ' ' A' ' 43' ' ' MET . 6.1 ptt? -65.65 -34.36 78.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.689 0.28 . . . . 0.0 110.263 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -61.64 -46.09 91.26 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.608 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 79.6 mt -71.16 -51.59 33.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.005 0.431 . . . . 0.0 111.105 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.79 118.4 5.68 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.024 -178.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.7 m -111.38 -68.84 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.219 179.063 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.465 ' C ' HG22 ' A' ' 53' ' ' THR . 24.2 mmtp -132.51 101.62 5.4 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.216 0.531 . . . . 0.0 109.971 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.465 HG22 ' C ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -178.93 101.86 0.2 Allowed Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.378 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -52.22 -35.16 62.3 Favored 'Trans proline' 0 N--CA 1.496 1.67 0 C-N-CA 122.443 2.096 . . . . 0.0 112.505 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.413 ' H ' ' HG2' ' A' ' 55' ' ' GLU . 3.2 mm-40 -55.36 -56.97 14.01 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.652 0.739 . . . . 0.0 110.401 -179.029 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 92.8 m -64.64 -28.78 69.85 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.551 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 -58.68 -49.43 77.6 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 121.032 0.444 . . . . 0.0 110.68 -179.397 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.88 -42.21 88.95 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.048 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -57.17 -45.88 83.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.648 -179.531 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -61.63 -42.21 98.56 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.642 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 69.8 m -57.75 -42.01 83.11 Favored 'General case' 0 C--N 1.316 -0.884 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.036 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.6 tptt -64.14 -43.4 95.35 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.333 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 45.9 tp -62.79 -41.58 99.33 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.283 -179.036 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 36.9 ttm -63.67 -39.56 94.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.827 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -62.17 -38.87 90.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.234 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -62.64 -43.4 98.9 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.165 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.4 mt -59.84 -44.25 94.17 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.356 -0.537 . . . . 0.0 110.415 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -64.36 -41.2 96.85 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.37 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.93 -41.84 86.35 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.415 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.558 HD13 ' O ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -61.37 -42.93 99.51 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.223 0.535 . . . . 0.0 110.001 -178.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.96 -45.48 93.46 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.534 0.683 . . . . 0.0 109.786 -179.422 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -61.17 -39.54 90.51 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.609 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -56.48 -50.49 71.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.515 -179.359 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 72.1 mt -68.7 -30.82 69.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.712 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.425 ' O ' ' OD1' ' A' ' 76' ' ' ASP . . . 88.7 -80.92 1.57 Allowed Glycine 0 CA--C 1.521 0.462 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' A' ' 75' ' ' GLY . 0.8 OUTLIER -150.58 66.71 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.785 -179.699 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 -74.73 136.44 41.77 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -59.51 -40.5 87.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.903 0.382 . . . . 0.0 110.983 -179.249 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.99 -32.66 74.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.324 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 44.5 mm -92.59 -47.17 14.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.843 0.354 . . . . 0.0 111.049 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 40.9 p -62.13 -41.36 98.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.45 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -115.15 113.99 24.7 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-O 121.28 0.562 . . . . 0.0 110.336 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.52 ' O ' ' SG ' ' A' ' 87' ' ' CYS . 18.0 pt-20 -60.73 -31.47 70.77 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.631 -179.699 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 65.6 mt -50.26 -60.56 0.8 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.531 0 CA-C-O 121.03 0.443 . . . . 0.0 111.747 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -68.19 -34.29 65.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -60.36 -37.38 93.03 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 -179.516 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.604 ' SG ' ' CE1' ' A' ' 131' ' ' PHE . 68.1 m -68.32 -50.23 54.87 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.418 ' O ' ' ND2' ' A' ' 92' ' ' ASN . . . -52.59 -45.36 66.48 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.693 -179.282 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 49.8 t60 -64.29 -46.16 84.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.186 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.61 -42.3 98.69 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.494 -178.833 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -66.57 -44.79 81.33 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.193 -179.039 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.418 ' ND2' ' O ' ' A' ' 88' ' ' ALA . 2.1 m-80 -62.4 -42.38 99.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.818 -179.388 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -63.77 -44.41 93.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.65 -43.16 99.37 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.796 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.0 tt -65.02 -43.44 92.45 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.39 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -55.84 -42.97 76.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.985 -179.042 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 40.1 tpp -65.37 -47.04 77.78 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.636 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.621 ' CG ' ' NE2' ' A' ' 141' ' ' HIS . 69.9 t80 -64.07 -60.03 3.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.965 -179.354 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.56 -43.13 24.97 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.586 -179.089 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -59.14 -45.94 89.66 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.591 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -70.77 -47.32 60.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.059 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -62.79 -40.39 97.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.86 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -62.56 -44.28 96.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.856 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.76 -39.38 87.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.028 0.442 . . . . 0.0 110.161 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -56.7 -43.87 80.94 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.092 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 57.5 ttp180 -61.99 -43.41 98.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.117 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.06 -4.8 3.8 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.475 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 82.78 22.5 57.85 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -94.33 102.14 14.12 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.867 0.365 . . . . 0.0 110.696 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -106.38 134.87 48.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.202 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -166.36 173.19 10.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.381 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -63.53 -31.09 72.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.242 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -58.33 -34.3 70.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.275 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 3.6 mmm -60.75 -43.57 97.79 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 33.6 mm -62.82 -48.74 86.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.32 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 33.6 mmtt -58.29 -42.74 87.28 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.135 -179.178 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.434 ' OG ' ' N ' ' A' ' 118' ' ' PHE . 54.1 p -58.23 -58.74 7.14 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.561 -0.455 . . . . 0.0 111.418 -178.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.434 ' N ' ' OG ' ' A' ' 117' ' ' SER . 45.9 m-85 -56.75 -43.41 80.72 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.954 -179.164 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -57.7 -55.89 28.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.523 0.677 . . . . 0.0 110.024 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 86.3 m -61.35 -38.97 88.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.207 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -54.66 -46.32 74.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.588 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 82.0 p -61.09 -44.27 97.62 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.068 0.461 . . . . 0.0 110.567 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.569 ' O ' HG13 ' A' ' 127' ' ' VAL . 10.5 mp -62.24 -40.66 96.9 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.003 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.46 ' O ' HG22 ' A' ' 127' ' ' VAL . 52.4 mt -59.74 -40.53 88.38 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-O 121.582 0.706 . . . . 0.0 110.35 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.535 ' O ' HG23 ' A' ' 129' ' ' THR . 3.5 mm -62.16 -41.69 92.27 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.276 0 C-N-CA 120.164 -0.614 . . . . 0.0 110.658 179.378 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.415 ' O ' HG13 ' A' ' 130' ' ' VAL . 96.0 m-20 -58.58 -45.27 89.39 Favored 'General case' 0 C--O 1.243 0.742 0 CA-C-O 121.076 0.465 . . . . 0.0 111.715 -178.794 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.752 ' O ' HG22 ' A' ' 130' ' ' VAL . 0.7 OUTLIER -63.59 -31.84 54.49 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.698 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.326 179.648 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.409 HD12 ' HA ' ' A' ' 125' ' ' ILE . 76.4 mt -72.21 -47.92 51.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.771 0.796 . . . . 0.0 110.334 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.535 HG23 ' O ' ' A' ' 125' ' ' ILE . 68.9 p -50.31 -38.53 42.03 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.745 -178.114 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.752 HG22 ' O ' ' A' ' 127' ' ' VAL . 2.5 m -44.08 -15.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 C-N-CA 119.919 -0.712 . . . . 0.0 111.464 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.604 ' CE1' ' SG ' ' A' ' 87' ' ' CYS . 13.2 m-85 -62.83 -9.73 10.6 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.137 -178.363 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 111.06 -68.6 0.22 Allowed Glycine 0 CA--C 1.519 0.313 0 N-CA-C 111.609 -0.597 . . . . 0.0 111.609 179.332 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.525 ' OE1' ' N ' ' A' ' 133' ' ' GLU . 56.4 mp0 -123.08 127.9 49.38 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-O 120.978 0.418 . . . . 0.0 111.026 -178.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 12.2 tp -125.18 158.67 33.4 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.322 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.403 ' H ' HG22 ' A' ' 135' ' ' THR . 3.0 t -76.7 150.04 36.35 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.452 0.644 . . . . 0.0 110.613 179.489 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -60.24 -35.4 75.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.346 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -46.87 -42.0 16.7 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.488 0.661 . . . . 0.0 109.952 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -73.3 -35.56 66.14 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.744 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 40.7 t -57.56 -55.75 19.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.299 -178.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -62.32 -37.31 85.11 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.454 -0.498 . . . . 0.0 109.834 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.621 ' NE2' ' CG ' ' A' ' 98' ' ' PHE . 52.2 t-80 -54.48 -45.99 73.31 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 142' ' ' ARG . . . . . 0.498 ' NH1' ' CZ ' ' A' ' 146' ' ' ARG . 78.6 ttt-85 -60.5 -44.04 96.4 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.329 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -61.53 -38.48 87.56 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.392 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' TYR . . . . . 0.401 ' HD1' ' N ' ' A' ' 144' ' ' TYR . 2.7 m-85 -72.49 -41.72 65.66 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.694 -179.177 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -59.56 -44.87 93.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.756 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' ARG . . . . . 0.498 ' CZ ' ' NH1' ' A' ' 142' ' ' ARG . 77.8 mtm180 -66.01 -43.74 86.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.74 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -59.89 -47.42 85.84 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.354 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -60.57 -41.52 94.77 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.522 -178.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.56 -47.07 87.0 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.131 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 59.1 p -71.71 -43.72 65.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.49 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -53.99 -51.19 64.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.765 -178.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 52.3 mt -64.33 -45.16 96.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.278 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 153' ' ' HIS . . . . . 0.425 ' CE1' ' HE2' ' A' ' 157' ' ' LYS . 10.9 t-80 -60.25 -45.82 91.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.267 -179.326 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -66.68 -36.62 82.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.834 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.87 -63.26 1.21 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.085 -179.084 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.569 HD12 ' N ' ' A' ' 157' ' ' LYS . 4.5 pp -61.14 -29.84 70.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.074 -179.503 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.569 ' N ' HD12 ' A' ' 156' ' ' LEU . 8.7 ttmt -59.55 -42.22 91.9 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.432 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -82.01 -12.02 58.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.11 -179.457 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 85.46 43.82 6.4 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -117.59 141.04 48.84 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.079 0.466 . . . . 0.0 110.988 -179.426 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 1.5 m -66.65 128.7 93.98 Favored Pre-proline 0 CA--C 1.54 0.575 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.176 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -63.32 137.92 63.31 Favored 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 121.826 1.684 . . . . 0.0 112.108 178.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.273 179.428 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 0.144 0 N-CA-C 110.296 -1.121 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 2.6 m -126.21 130.54 23.92 Favored Pre-proline 0 N--CA 1.467 0.419 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -61.89 124.1 13.86 Favored 'Trans proline' 0 N--CA 1.493 1.493 0 C-N-CA 122.48 2.12 . . . . 0.0 112.669 -178.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 157' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -59.78 142.48 53.22 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.989 0.423 . . . . 0.0 110.514 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -135.16 153.09 52.09 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.997 -178.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -76.36 123.25 25.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.023 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 160' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -58.04 -39.48 78.5 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.583 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 161' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -62.57 -48.04 81.19 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.137 0.494 . . . . 0.0 110.412 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 162' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -65.8 -38.31 88.62 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.293 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 13.0 tp -57.35 -47.05 82.6 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.347 -178.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -64.71 -35.28 80.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.051 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 165' ' ' ALA . . . . . . . . . . . . . . . -58.31 -47.74 82.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.165 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.07 -49.66 66.82 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.572 -179.045 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.02 -56.24 15.52 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.047 -178.511 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 168' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -50.7 -49.09 58.33 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.8 -178.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -60.4 -48.95 79.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.902 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 68.9 tp -54.78 -46.37 74.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.805 -178.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -57.51 -43.25 94.16 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 -179.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 172' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -57.32 -44.56 84.27 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -62.99 -45.56 91.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.168 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 91.0 mt -63.51 -38.33 90.72 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.221 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 175' ' ' LEU . . . . . 0.612 HD13 ' O ' ' B' ' 175' ' ' LEU . 0.3 OUTLIER -59.37 -44.73 92.68 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.117 -178.782 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.679 0 C-N-CA 120.131 -0.628 . . . . 0.0 111.083 -179.807 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 182' ' ' TYR . . . . . . . . . . . . . 1.2 p90 . . . . . 0 CA--C 1.529 0.147 0 CA-C-O 121.057 0.456 . . . . 0.0 110.043 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 183' ' ' LEU . . . . . . . . . . . . . 10.4 tp -58.27 -46.67 85.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.788 -177.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 184' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -68.07 -35.17 77.76 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.34 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -70.0 -42.09 73.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.818 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 186' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.494 -179.693 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.4 mt . . . . . 0 CA--C 1.518 -0.275 0 CA-C-O 120.954 0.406 . . . . 0.0 110.684 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.49 155.26 2.7 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.201 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -66.2 146.03 80.19 Favored 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 122.758 2.305 . . . . 0.0 112.123 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 20.6 mt -73.58 140.48 78.68 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.231 -179.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -69.39 167.39 24.08 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.481 2.12 . . . . 0.0 112.136 179.293 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -38.59 126.29 1.03 Allowed 'Trans proline' 0 C--N 1.316 -1.173 0 C-N-CA 122.449 2.099 . . . . 0.0 111.618 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.41 HD12 ' CE1' ' A' ' 59' ' ' PHE . 1.5 tt -99.23 116.87 64.84 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.384 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.51 149.93 29.13 Favored 'Trans proline' 0 N--CA 1.496 1.644 0 C-N-CA 122.323 2.015 . . . . 0.0 111.754 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.48 -19.97 65.9 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.851 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -59.78 -24.84 64.42 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.754 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -108.38 21.01 17.9 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 121.269 0.557 . . . . 0.0 110.483 -179.345 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.421 ' NZ ' ' NE2' ' A' ' 19' ' ' HIS . 7.0 tmtm? -59.52 -26.59 65.45 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.05 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.6 t -64.86 -47.96 76.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.86 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.402 HG12 ' H ' ' A' ' 17' ' ' ILE . 30.0 pt -85.3 -6.14 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.068 -179.452 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -55.36 -45.6 76.48 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.67 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.524 ' CD2' HH21 ' A' ' 22' ' ' ARG . 22.2 m170 -56.48 -37.49 70.41 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.234 0.54 . . . . 0.0 110.881 -179.527 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.56 -40.94 84.92 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.004 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.3 mt -59.7 -48.71 80.61 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.936 -178.533 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.524 HH21 ' CD2' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -62.2 -38.42 89.07 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.359 179.591 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 99.5 m -62.8 -44.06 97.16 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.212 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' A' ' 28' ' ' ASP . . . -67.44 -41.8 84.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.548 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -52.59 -45.23 66.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.322 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -74.13 -47.39 36.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.046 0.45 . . . . 0.0 110.463 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.54 ' O ' ' N ' ' A' ' 31' ' ' ASP . 11.5 m80 -65.87 -21.86 66.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.579 -179.682 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 24' ' ' ALA . 5.9 t0 -56.77 -35.35 68.56 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.764 -0.375 . . . . 0.0 110.185 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.5 tptm -76.6 -36.3 57.59 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.937 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -90.21 -63.97 1.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.892 -179.181 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.54 ' N ' ' O ' ' A' ' 27' ' ' HIS . 37.5 m-20 -110.81 94.22 19.39 Favored Pre-proline 0 CA--C 1.537 0.443 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -69.15 -31.23 23.7 Favored 'Trans proline' 0 N--CA 1.494 1.518 0 C-N-CA 122.373 2.048 . . . . 0.0 111.875 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 94.3 t -62.65 -45.71 98.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.133 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.473 ' O ' ' SG ' ' A' ' 38' ' ' CYS . 65.3 t -67.86 -44.63 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.376 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.77 -35.88 77.53 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.287 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -63.02 -53.82 47.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.128 0.49 . . . . 0.0 110.624 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -65.19 -36.22 83.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.576 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.473 ' SG ' ' O ' ' A' ' 34' ' ' VAL . 95.1 m -57.52 -44.83 85.38 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.114 -179.569 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.8 mmt85 -64.17 -40.49 96.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.144 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 64.0 tp -56.82 -46.55 81.59 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.521 -179.239 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.408 ' O ' ' OG1' ' A' ' 45' ' ' THR . 16.2 t80 -59.12 -42.76 91.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.112 0.482 . . . . 0.0 110.071 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' A' ' 46' ' ' GLY . . . -63.68 -50.65 68.38 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.444 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 19.8 ttp -51.45 -65.99 0.46 Allowed 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 121.07 0.462 . . . . 0.0 111.408 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -51.59 -39.78 58.58 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.519 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 41' ' ' TYR . 40.5 m -70.74 -39.72 73.14 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.682 179.379 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -54.64 -62.34 6.33 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 111.471 -0.652 . . . . 0.0 111.471 -178.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.437 ' O ' ' O ' ' A' ' 50' ' ' ASP . 14.7 ptp -59.39 -38.67 81.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.092 0.472 . . . . 0.0 111.055 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.408 ' N ' ' CG ' ' A' ' 47' ' ' MET . 11.4 ttpt -59.93 -42.21 93.48 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.55 -178.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 71.4 mt -64.25 -46.58 92.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.18 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.505 ' OD1' ' O ' ' A' ' 46' ' ' GLY . 9.1 p-10 -98.18 -173.34 2.56 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 120.839 0.352 . . . . 0.0 110.433 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.437 ' O ' ' OG ' ' A' ' 51' ' ' SER . 6.5 t -136.2 55.15 1.86 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.413 -179.257 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.2 mttp 65.26 117.66 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.029 0.442 . . . . 0.0 110.505 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.489 HG23 ' H ' ' A' ' 56' ' ' CYS . 3.6 t -159.15 145.32 12.3 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.932 178.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -41.64 -54.99 2.5 Favored 'Trans proline' 0 C--N 1.313 -1.301 0 C-N-CA 122.242 1.961 . . . . 0.0 112.504 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -48.45 -61.88 1.78 Allowed 'General case' 0 C--O 1.241 0.644 0 CA-C-O 121.43 0.634 . . . . 0.0 110.532 -179.625 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.572 ' SG ' ' N ' ' A' ' 57' ' ' ARG . 8.3 p -57.66 -43.91 85.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.526 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.572 ' N ' ' SG ' ' A' ' 56' ' ' CYS . 52.8 ttt180 -44.06 -41.67 5.67 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.643 -179.576 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.65 -60.43 2.32 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.302 0.573 . . . . 0.0 111.016 -179.415 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.41 ' CE1' HD12 ' A' ' 10' ' ' LEU . 30.9 t80 -62.67 -47.36 84.03 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.299 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 56' ' ' CYS . 6.8 tp -56.51 -47.45 79.32 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.775 -178.093 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.9 t -56.95 -40.69 76.91 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.1 mmtt -63.15 -42.27 99.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.404 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 42.8 tp -60.39 -44.94 95.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.13 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 26.5 ttt -65.87 -39.97 91.19 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.195 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -56.74 -45.77 81.76 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.394 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -62.06 -44.81 95.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.426 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 mt -54.36 -51.81 63.6 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.779 -179.329 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -58.14 -49.85 75.56 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.135 0.493 . . . . 0.0 110.504 -179.225 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.59 -40.89 88.92 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.683 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.501 HD13 ' O ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -60.21 -41.24 92.62 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.077 -178.04 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -62.62 -40.07 95.8 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.993 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -59.91 -39.13 84.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.356 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -63.99 -50.98 66.43 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.22 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 60.8 mt -69.07 -31.43 70.18 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.719 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.14 -84.22 1.16 Allowed Glycine 0 N--CA 1.452 -0.298 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.463 ' O ' ' O ' ' A' ' 77' ' ' ASN . 34.4 m-20 -113.65 -65.99 1.13 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.959 0.409 . . . . 0.0 111.015 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.463 ' O ' ' O ' ' A' ' 76' ' ' ASP . 23.6 t-20 47.5 103.59 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.853 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.424 ' CB ' HG11 ' A' ' 85' ' ' VAL . 47.9 mt-10 -43.52 -45.26 6.44 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.74 -178.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.555 ' HA ' HG13 ' A' ' 85' ' ' VAL . . . -55.02 -28.62 53.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.496 -179.58 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.417 ' N ' ' O ' ' A' ' 77' ' ' ASN . 46.7 mm -98.82 -49.43 11.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.722 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.457 ' H ' ' HG1' ' A' ' 81' ' ' THR . 0.0 OUTLIER -61.94 -39.45 92.12 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.733 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -122.24 114.52 20.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.078 0.466 . . . . 0.0 110.714 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -62.05 -25.1 67.48 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.628 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 31.1 mm -48.67 -57.21 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.234 0.54 . . . . 0.0 110.492 -178.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.555 HG13 ' HA ' ' A' ' 79' ' ' ALA . 2.7 p -75.82 -32.58 24.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.273 -0.422 . . . . 0.0 109.979 179.004 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.653 ' O ' ' ND1' ' A' ' 89' ' ' HIS . . . -59.02 -41.42 96.44 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.183 -1.167 . . . . 0.0 110.183 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 7.8 t -70.86 -48.9 51.4 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 122.399 -0.471 . . . . 0.0 110.046 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -50.09 -52.55 33.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.056 -179.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.653 ' ND1' ' O ' ' A' ' 86' ' ' GLY . 1.4 p-80 -59.79 -44.81 93.77 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.088 0.471 . . . . 0.0 110.646 -179.615 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.542 ' N ' ' CG ' ' A' ' 89' ' ' HIS . 1.0 OUTLIER -58.3 -42.23 86.18 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.853 -178.81 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -61.6 -44.2 97.45 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.694 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -63.92 -41.9 97.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.011 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -60.26 -49.18 78.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.694 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.38 -41.74 88.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.1 tp -59.62 -45.51 91.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.091 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -62.76 -40.83 98.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.047 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 13.8 tpp -64.07 -53.19 53.73 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.397 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -59.64 -49.39 77.92 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.491 -179.085 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.452 ' O ' ' ND2' ' A' ' 103' ' ' ASN . 2.7 mm? -60.35 -40.38 90.5 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.82 -179.302 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.585 ' CE2' ' OE1' ' A' ' 104' ' ' GLU . 89.6 t80 -53.89 -46.98 71.53 Favored 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.265 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.91 -48.36 63.51 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.064 0.459 . . . . 0.0 111.077 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.71 -39.04 73.16 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.366 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 99' ' ' LEU . 88.2 m-20 -62.22 -48.49 79.75 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.098 0.475 . . . . 0.0 110.706 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.585 ' OE1' ' CE2' ' A' ' 100' ' ' TYR . 18.0 mt-10 -68.31 -31.21 70.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.549 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -64.89 -42.15 95.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.661 -179.401 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -42.31 99.45 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.228 -179.595 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.04 -5.34 4.5 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.362 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 78.26 33.41 40.04 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 43.5 ttm-85 -105.19 106.09 16.43 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.568 ' CZ ' ' O ' ' A' ' 162' ' ' PRO . 14.4 m-85 -107.45 138.15 44.18 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.577 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.454 ' CG ' ' O ' ' A' ' 110' ' ' PHE . 23.9 m-70 -165.87 163.05 18.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.693 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.478 ' HA ' HD12 ' A' ' 115' ' ' ILE . 26.1 mtpp -59.01 -35.26 72.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.012 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.54 ' OD1' ' CD1' ' B' ' 182' ' ' TYR . 40.0 t-20 -58.56 -38.76 78.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.925 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 33.9 mmm -67.63 -38.86 84.48 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.478 HD12 ' HA ' ' A' ' 112' ' ' LYS . 97.9 mt -58.49 -48.07 86.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.203 0.525 . . . . 0.0 110.483 -178.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -70.5 -28.45 64.97 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.18 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 11.8 p -58.64 -44.15 89.95 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -68.93 -45.21 71.38 Favored 'General case' 0 C--O 1.227 -0.104 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.248 179.2 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -59.91 -55.43 34.16 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.808 0.814 . . . . 0.0 109.786 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 11.3 m -58.72 -45.21 90.09 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.229 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -52.53 -38.36 59.56 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.408 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.2 p -63.08 -38.69 92.19 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.3 0.572 . . . . 0.0 109.598 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.459 ' O ' HG23 ' A' ' 127' ' ' VAL . 49.9 mt -61.31 -42.26 98.37 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.484 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.55 -44.06 97.27 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.4 0.619 . . . . 0.0 111.164 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.1 mt -56.8 -42.4 77.6 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.095 0 C-N-CA 120.138 -0.625 . . . . 0.0 109.6 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.518 ' O ' ' OG1' ' A' ' 129' ' ' THR . 5.8 m-20 -61.05 -40.49 93.83 Favored 'General case' 0 C--O 1.248 1.018 0 CA-C-O 122.479 1.133 . . . . 0.0 109.778 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.632 ' O ' HG22 ' A' ' 130' ' ' VAL . 94.5 t -57.64 -33.23 44.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.125 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 59.8 mt -73.38 -42.81 56.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.226 0.536 . . . . 0.0 110.886 178.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.563 HG22 HD22 ' A' ' 134' ' ' LEU . 68.6 p -49.45 -33.94 15.44 Favored 'General case' 0 CA--C 1.51 -0.595 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.411 -177.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.632 HG22 ' O ' ' A' ' 127' ' ' VAL . 10.9 m -41.67 -36.13 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.011 179.292 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.41 ' N ' HG23 ' A' ' 130' ' ' VAL . 56.1 m-85 -64.89 -44.17 90.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.623 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 100.26 -17.26 57.19 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -91.87 60.44 3.89 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.563 HD22 HG22 ' A' ' 129' ' ' THR . 40.0 tp -111.05 137.31 48.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.528 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 22.2 p -82.13 154.55 25.47 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-O 121.353 0.597 . . . . 0.0 110.541 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -58.59 -34.16 70.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.466 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -52.11 -44.54 64.49 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.628 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' ASN . . . . . 0.521 ' CB ' HD11 ' A' ' 134' ' ' LEU . 1.9 m120 -64.79 -37.85 89.0 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.824 0.345 . . . . 0.0 110.413 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 57.8 t -58.82 -43.87 89.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.166 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -64.18 -41.54 97.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.418 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 21.7 m80 -57.1 -43.11 81.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.953 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 10.8 ttm180 -60.71 -46.28 91.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.957 0.408 . . . . 0.0 110.043 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -62.64 -37.72 87.46 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.174 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -69.14 -47.55 64.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.341 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -56.17 -36.0 67.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.843 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 50.8 ttt180 -66.07 -48.13 72.03 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.025 0.44 . . . . 0.0 110.595 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 27.1 t90 -58.56 -44.61 89.77 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.309 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 20.9 mttm -63.4 -39.06 93.48 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.695 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -54.1 -51.78 63.08 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.712 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 9.8 p -72.24 -37.99 69.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.24 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -54.69 -49.14 71.39 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.796 -179.166 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 96.1 mt -66.64 -43.46 90.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.978 0.418 . . . . 0.0 110.737 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -57.14 -47.21 81.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.031 0.443 . . . . 0.0 110.627 -179.079 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 154' ' ' ASN . . . . . 0.576 ' O ' ' ND2' ' A' ' 158' ' ' ASN . 88.2 m-20 -63.87 -39.44 94.21 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.267 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 93.5 m -63.64 -39.3 94.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.356 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.676 ' O ' HD12 ' A' ' 156' ' ' LEU . 0.6 OUTLIER -62.18 -45.82 91.68 Favored 'General case' 0 N--CA 1.441 -0.875 0 CA-C-O 121.399 0.618 . . . . 0.0 111.011 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -65.38 -32.58 74.29 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.95 -178.091 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 158' ' ' ASN . . . . . 0.576 ' ND2' ' O ' ' A' ' 154' ' ' ASN . 65.6 m-80 -77.46 -19.41 56.01 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.859 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 81.83 37.84 15.32 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.497 -1.041 . . . . 0.0 110.497 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -127.8 128.35 45.12 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 120.847 0.355 . . . . 0.0 110.892 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 161' ' ' THR . . . . . 0.52 ' O ' HG23 ' A' ' 161' ' ' THR . 5.6 t -68.83 116.95 46.35 Favored Pre-proline 0 CA--C 1.539 0.534 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.903 -179.572 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 162' ' ' PRO . . . . . 0.568 ' O ' ' CZ ' ' A' ' 110' ' ' PHE . 54.4 Cg_exo -48.6 138.26 25.2 Favored 'Trans proline' 0 N--CA 1.496 1.668 0 C-N-CA 122.227 1.951 . . . . 0.0 112.24 -179.64 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 . . . . . 0 N--CA 1.464 0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.246 179.967 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.106 0 N-CA-C 110.462 -1.055 . . . . 0.0 110.462 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 30.6 p -93.66 132.12 30.71 Favored Pre-proline 0 CA--C 1.538 0.489 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.672 -179.462 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -73.45 -159.67 0.09 OUTLIER 'Trans proline' 0 N--CA 1.496 1.638 0 C-N-CA 122.436 2.091 . . . . 0.0 111.879 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 157' ' ' GLU . . . . . 0.412 ' CG ' ' O ' ' B' ' 157' ' ' GLU . 5.7 pt-20 -97.15 104.41 16.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.037 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.93 140.68 52.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.993 0.425 . . . . 0.0 110.652 -179.561 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.82 142.61 36.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.946 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 160' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -65.37 -34.91 79.43 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.76 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 161' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -65.14 -54.93 22.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.863 0.363 . . . . 0.0 110.998 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 162' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -62.25 -39.58 93.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.994 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 49.3 tp -57.56 -47.79 81.12 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.417 -178.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -65.61 -32.38 73.92 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.419 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 165' ' ' ALA . . . . . . . . . . . . . . . -58.9 -49.38 78.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.668 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 166' ' ' GLU . . . . . 0.529 ' OE1' ' ND2' ' A' ' 154' ' ' ASN . 0.8 OUTLIER -63.19 -44.92 94.05 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.62 -179.166 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.33 -55.9 26.22 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.853 -178.709 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 168' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.79 -43.96 63.25 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.678 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -64.29 -52.44 58.54 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.258 0.551 . . . . 0.0 110.286 179.655 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 3.4 tt -54.67 -44.47 73.33 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.474 -0.49 . . . . 0.0 110.121 -179.194 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -56.3 -45.38 88.66 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.667 -0.973 . . . . 0.0 110.667 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 172' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -56.86 -43.89 81.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.297 0.57 . . . . 0.0 109.555 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -58.44 -55.76 30.85 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.2 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 94.1 mt -59.15 -39.04 81.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.097 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 175' ' ' LEU . . . . . 0.647 ' C ' HD23 ' B' ' 175' ' ' LEU . 7.7 tt -51.33 -41.37 60.52 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.656 -0.418 . . . . 0.0 109.885 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.037 -0.528 . . . . 0.0 109.998 179.311 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 182' ' ' TYR . . . . . 0.54 ' CD1' ' OD1' ' A' ' 113' ' ' ASN . 0.1 OUTLIER . . . . . 0 CA--C 1.536 0.405 0 CA-C-O 121.434 0.635 . . . . 0.0 110.304 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 183' ' ' LEU . . . . . 0.504 ' N ' ' CG ' ' B' ' 182' ' ' TYR . 1.1 pp -67.23 -35.78 80.28 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.324 -179.329 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 184' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -66.72 -36.51 82.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.786 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -67.06 -43.64 82.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.515 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 186' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.525 -179.954 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 30.7 mt . . . . . 0 N--CA 1.467 0.412 0 CA-C-O 121.159 0.504 . . . . 0.0 110.679 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.34 153.76 13.04 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.423 -179.387 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -68.71 148.89 72.65 Favored 'Trans proline' 0 N--CA 1.494 1.551 0 C-N-CA 122.734 2.289 . . . . 0.0 111.938 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 52.4 mt -85.03 145.31 43.07 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.904 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -68.1 166.48 24.81 Favored 'Trans proline' 0 N--CA 1.494 1.543 0 C-N-CA 122.593 2.196 . . . . 0.0 112.281 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -40.69 144.89 0.42 Allowed 'Trans proline' 0 C--N 1.311 -1.426 0 C-N-CA 122.621 2.214 . . . . 0.0 111.62 179.282 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 tt -106.35 104.68 51.4 Favored Pre-proline 0 CA--C 1.54 0.574 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.731 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -50.79 153.52 8.18 Favored 'Trans proline' 0 N--CA 1.497 1.68 0 C-N-CA 122.467 2.111 . . . . 0.0 112.462 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.31 -23.61 67.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.613 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -56.17 -25.46 46.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.658 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -113.75 26.95 9.92 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.402 0.62 . . . . 0.0 110.781 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -66.01 -23.78 66.63 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.713 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.9 p -73.77 -52.93 11.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.153 0.501 . . . . 0.0 111.34 -179.008 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -72.21 -12.5 15.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.414 -179.449 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -50.29 -37.15 34.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.875 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.62 -40.68 88.38 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.146 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -64.11 -42.52 96.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.565 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.71 -40.17 96.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.967 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.23 -48.41 81.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.228 0.537 . . . . 0.0 110.422 -178.615 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 28.3 m -63.03 -43.17 99.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.318 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.69 -49.41 77.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.877 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -54.87 -46.1 74.67 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.737 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.0 tp10 -68.09 -52.03 39.76 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.673 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.494 ' O ' ' N ' ' A' ' 31' ' ' ASP . 0.3 OUTLIER -61.05 -26.48 67.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.573 -179.601 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -49.97 -38.45 36.93 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.125 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -77.49 -34.09 54.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.826 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.8 mmp_? -86.75 -65.44 1.01 Allowed 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.085 -178.328 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.494 ' N ' ' O ' ' A' ' 27' ' ' HIS . 38.3 m-20 -124.13 107.95 30.15 Favored Pre-proline 0 CA--C 1.54 0.585 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.862 -179.588 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.39 -22.55 21.51 Favored 'Trans proline' 0 N--CA 1.492 1.411 0 C-N-CA 121.979 1.786 . . . . 0.0 111.879 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 79.7 t -62.33 -51.78 68.15 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.03 -178.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.464 HG13 ' N ' ' A' ' 35' ' ' ALA . 8.1 p -71.93 -39.75 67.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.389 179.526 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.464 ' N ' HG13 ' A' ' 34' ' ' VAL . . . -61.1 -42.53 98.7 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.385 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -61.78 -48.69 79.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.778 0.323 . . . . 0.0 110.513 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -63.89 -39.76 94.93 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.567 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 93.6 m -60.85 -44.22 97.28 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.847 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.537 HH22 ' CB ' ' A' ' 70' ' ' LEU . 44.2 mtm180 -60.38 -43.81 96.23 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.005 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 tt -58.6 -43.53 89.58 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.472 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.418 ' O ' ' OG1' ' A' ' 45' ' ' THR . 7.0 t80 -54.89 -45.88 74.72 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 121.333 0.587 . . . . 0.0 109.938 179.357 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.13 -49.38 77.47 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.632 -179.148 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 32.3 ttp -50.67 -58.15 6.56 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 120.852 0.358 . . . . 0.0 110.957 -178.355 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -60.16 -35.86 76.27 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.699 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 41' ' ' TYR . 18.4 m -71.3 -41.53 69.83 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.933 0.397 . . . . 0.0 110.616 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -62.05 -46.72 93.45 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.854 -0.498 . . . . 0.0 111.854 -178.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.453 ' O ' ' O ' ' A' ' 50' ' ' ASP . 10.6 ptt? -65.6 -35.92 82.23 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -66.7 -41.59 87.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.853 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 70.6 mt -62.33 -44.89 99.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.994 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.453 ' O ' ' O ' ' A' ' 47' ' ' MET . 7.9 m-20 -110.06 -168.1 1.28 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.973 0.416 . . . . 0.0 110.275 -179.446 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.1 t -151.23 4.52 0.45 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.051 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.55 ' O ' ' O ' ' A' ' 53' ' ' THR . 10.6 mttm 179.73 -97.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.797 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.55 ' O ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER 52.28 142.47 0.03 OUTLIER Pre-proline 0 CA--C 1.543 0.706 0 O-C-N 123.939 0.774 . . . . 0.0 110.704 -178.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -70.49 -51.21 0.34 Allowed 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 121.944 1.763 . . . . 0.0 111.78 179.284 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -65.08 -31.94 73.41 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.517 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.446 ' SG ' HD13 ' A' ' 60' ' ' LEU . 30.7 t -72.29 -67.21 0.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.05 -179.399 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 58' ' ' LYS . 20.2 ptp180 -41.11 -42.17 1.93 Allowed 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.726 -179.221 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.424 ' N ' ' HG3' ' A' ' 57' ' ' ARG . 0.3 OUTLIER -64.97 -43.26 93.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.056 0.455 . . . . 0.0 110.655 -179.765 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -61.64 -44.56 96.76 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.285 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.446 HD13 ' SG ' ' A' ' 56' ' ' CYS . 10.9 mp -62.14 -42.53 99.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.68 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 34.5 t -55.56 -48.14 75.25 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.716 -0.393 . . . . 0.0 110.366 -179.037 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.3 mmtt -66.78 -41.43 87.67 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 36.2 tp -61.2 -41.94 97.71 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.157 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 19.9 ttm -66.0 -39.79 90.6 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.423 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -58.18 -44.46 88.03 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.059 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.492 ' C ' HH12 ' A' ' 39' ' ' ARG . 72.6 mt-30 -62.45 -44.0 97.47 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.432 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.0 mt -57.54 -46.76 83.5 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.8 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -66.48 -43.18 86.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.168 0.508 . . . . 0.0 110.501 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.46 -38.78 92.44 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.101 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.537 ' CB ' HH22 ' A' ' 39' ' ' ARG . 0.2 OUTLIER -61.67 -43.27 99.17 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.073 -178.586 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.487 ' NZ ' ' O ' ' A' ' 75' ' ' GLY . 26.9 tptp -63.43 -37.88 88.99 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.855 179.561 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.7 tptt -59.7 -44.61 93.59 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.479 -178.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -63.16 -47.77 81.28 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.731 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.2 mt -69.66 -30.44 68.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.443 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.487 ' O ' ' NZ ' ' A' ' 71' ' ' LYS . . . 74.93 -84.86 0.79 Allowed Glycine 0 C--O 1.229 -0.185 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -145.5 80.64 1.6 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 61.1 t-20 -90.01 126.8 35.89 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.403 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -46.85 -37.99 9.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.286 -179.349 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.403 ' HA ' HG13 ' A' ' 85' ' ' VAL . . . -62.2 -36.73 82.83 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.45 -178.747 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 12.3 mm -94.14 -43.77 13.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.034 -179.044 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 36.3 p -62.59 -54.0 46.26 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.122 -178.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -100.44 106.93 18.55 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.266 0.555 . . . . 0.0 110.949 -178.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.92 -26.03 33.33 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.037 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 42.6 mm -49.53 -55.76 4.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.571 -177.196 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.454 ' H ' HG12 ' A' ' 85' ' ' VAL . 1.8 p -73.13 -35.92 48.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.484 178.584 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.39 -46.8 93.31 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 -179.279 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.5 t -63.73 -50.97 67.03 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 179.52 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.81 -36.91 75.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.434 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 69.4 t60 -58.84 -45.5 89.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.352 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -63.74 -44.41 93.59 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.099 -179.483 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.529 ' N ' ' OE1' ' A' ' 91' ' ' GLU . 0.4 OUTLIER -62.38 -42.56 99.51 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.58 -178.7 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -61.42 -42.65 99.08 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.276 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -61.66 -47.67 84.31 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.133 0.492 . . . . 0.0 110.689 -179.497 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.28 -48.79 80.22 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.907 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.1 tp -60.87 -42.53 98.08 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.696 -179.106 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 45.7 tptt -60.15 -49.25 78.36 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.627 0.727 . . . . 0.0 111.66 -178.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.441 ' SD ' ' CD1' ' A' ' 124' ' ' LEU . 5.6 ptm -77.11 -35.31 56.46 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.305 -178.747 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -63.62 -53.35 52.92 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 120.477 -0.489 . . . . 0.0 109.891 -178.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.74 -40.44 88.08 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.77 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -51.32 -46.95 62.75 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 119.782 -0.767 . . . . 0.0 110.354 179.337 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.31 -44.9 78.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.399 0.618 . . . . 0.0 111.009 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -61.9 -37.55 85.05 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.324 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 22.6 t30 -63.14 -43.73 97.54 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.472 179.509 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -70.53 -31.09 68.02 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.381 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -60.78 -51.82 67.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.267 -179.213 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 106' ' ' ARG . 2.3 ptt-85 -68.78 -35.94 77.67 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.114 0.483 . . . . 0.0 110.45 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.33 -10.67 17.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.127 -178.374 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 82.59 22.84 57.63 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.509 ' O ' ' SD ' ' A' ' 114' ' ' MET . 2.0 mmt85 -97.82 101.2 12.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.726 0.298 . . . . 0.0 110.612 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -101.62 133.79 45.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.874 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -168.36 151.93 5.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.292 179.392 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 57.7 pttt -50.94 -21.08 1.56 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.387 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -64.22 -39.44 93.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.494 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.509 ' SD ' ' O ' ' A' ' 109' ' ' ARG . 3.0 mtm -61.77 -40.98 97.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.687 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.37 -49.13 85.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.06 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 9.3 tttm -65.52 -29.5 70.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.648 -179.449 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.41 ' OG ' ' N ' ' A' ' 118' ' ' PHE . 10.6 p -61.71 -52.18 65.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.773 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.41 ' N ' ' OG ' ' A' ' 117' ' ' SER . 61.3 m-85 -64.26 -38.62 91.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.597 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -57.69 -55.85 29.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.058 0.456 . . . . 0.0 110.499 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 11.9 m -58.25 -40.88 82.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.963 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -57.37 -40.85 78.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.233 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 49.7 p -61.37 -42.31 98.49 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-O 121.667 0.746 . . . . 0.0 110.719 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 95.5 mt -62.36 -42.51 99.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.447 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.441 ' CD1' ' SD ' ' A' ' 97' ' ' MET . 15.0 mt -61.11 -38.54 86.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.423 0.63 . . . . 0.0 110.462 -179.727 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 89.8 mt -59.01 -42.58 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.393 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.417 ' O ' ' OG1' ' A' ' 129' ' ' THR . 37.0 t0 -57.97 -41.81 83.74 Favored 'General case' 0 C--O 1.249 1.045 0 CA-C-O 122.109 0.956 . . . . 0.0 110.506 179.127 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.685 ' O ' HG22 ' A' ' 130' ' ' VAL . 14.0 t -57.98 -34.3 48.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.671 179.276 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 89.9 mt -70.34 -43.79 78.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.907 178.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.575 HG22 HD11 ' A' ' 134' ' ' LEU . 67.4 p -51.33 -39.78 57.68 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.806 -176.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.685 HG22 ' O ' ' A' ' 127' ' ' VAL . 3.5 m -40.73 -28.18 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 C-N-CA 120.036 -0.666 . . . . 0.0 111.104 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.423 ' N ' ' O ' ' A' ' 129' ' ' THR . 35.3 m-85 -71.35 -44.3 65.3 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.837 179.498 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 129' ' ' THR . . . 104.35 34.45 3.63 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -121.42 59.52 0.96 Allowed 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 120.922 0.391 . . . . 0.0 110.702 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.658 ' CD1' HD22 ' A' ' 138' ' ' ASN . 3.9 mm? -81.78 88.8 6.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.391 -178.564 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.409 ' O ' ' OD1' ' A' ' 138' ' ' ASN . 7.6 p -83.49 146.16 28.53 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.051 179.042 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -42.05 -41.8 2.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.671 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -54.22 -56.66 16.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.642 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' ASN . . . . . 0.658 HD22 ' CD1' ' A' ' 134' ' ' LEU . 0.1 OUTLIER -54.19 -45.05 72.08 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.081 0.467 . . . . 0.0 110.324 -179.275 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 139' ' ' VAL . . . . . 0.425 ' N ' ' CG ' ' A' ' 138' ' ' ASN . 61.7 t -61.73 -45.98 97.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.832 -178.039 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 4.7 ttmm -60.66 -45.38 94.35 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.454 0.645 . . . . 0.0 110.564 -178.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 34.6 m170 -64.33 -42.09 96.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.132 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -57.75 -42.69 84.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.392 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -62.32 -39.49 93.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -70.39 -42.76 71.28 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.516 -0.474 . . . . 0.0 111.578 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -55.9 -46.77 78.29 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.853 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' ARG . . . . . 0.435 ' O ' HG23 ' A' ' 150' ' ' THR . 60.1 mtp85 -65.59 -45.23 84.03 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.974 -0.29 . . . . 0.0 111.633 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 18.1 t90 -61.39 -49.23 77.75 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.938 0.399 . . . . 0.0 111.085 -178.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -61.5 -39.91 92.66 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.807 -178.273 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -60.23 -48.12 83.07 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 150' ' ' THR . . . . . 0.435 HG23 ' O ' ' A' ' 146' ' ' ARG . 37.3 p -73.8 -43.07 59.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.175 -179.025 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -52.4 -53.18 48.44 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.78 0.324 . . . . 0.0 110.838 -178.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 84.1 mt -65.58 -42.68 93.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.903 0.382 . . . . 0.0 110.521 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 153' ' ' HIS . . . . . 0.408 ' NE2' ' CE ' ' A' ' 157' ' ' LYS . 73.3 t60 -50.84 -52.57 40.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.051 -178.641 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -64.6 -37.25 86.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.455 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.14 -40.23 80.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.109 0.481 . . . . 0.0 110.833 -179.272 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.689 ' O ' HD12 ' A' ' 156' ' ' LEU . 0.1 OUTLIER -71.15 -42.09 69.6 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.279 0.561 . . . . 0.0 110.687 -179.564 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.511 ' N ' ' HG ' ' A' ' 156' ' ' LEU . 46.4 mttm -62.23 -34.34 76.31 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.628 -177.021 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -86.38 -14.44 43.42 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.77 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 83.57 14.17 74.11 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 110.655 -0.978 . . . . 0.0 110.655 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -82.18 142.75 31.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.717 0.294 . . . . 0.0 110.574 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 54.2 m -81.51 127.79 71.97 Favored Pre-proline 0 CA--C 1.539 0.548 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.547 -179.467 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -73.07 157.72 50.45 Favored 'Trans proline' 0 N--CA 1.497 1.717 0 C-N-CA 122.394 2.063 . . . . 0.0 112.068 179.415 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 . . . . . 0 C--N 1.332 -0.181 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.223 179.509 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.37 0 N-CA-C 110.556 -1.017 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 3.1 p -106.82 130.22 23.22 Favored Pre-proline 0 CA--C 1.54 0.59 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.018 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -73.86 -155.36 0.04 OUTLIER 'Trans proline' 0 N--CA 1.497 1.689 0 C-N-CA 122.461 2.107 . . . . 0.0 111.644 179.08 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 157' ' ' GLU . . . . . 0.487 ' C ' HD22 ' B' ' 158' ' ' LEU . 3.6 pt-20 -91.39 101.85 14.53 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.98 0.419 . . . . 0.0 110.09 179.435 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 158' ' ' LEU . . . . . 0.691 HD22 ' N ' ' B' ' 158' ' ' LEU . 3.2 mm? -96.14 127.01 41.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.217 0.532 . . . . 0.0 110.483 -179.334 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -77.13 114.47 15.97 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.937 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 160' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -44.08 -41.02 5.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.832 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 161' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -63.99 -50.01 70.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.984 0.421 . . . . 0.0 110.497 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 162' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -63.75 -49.18 74.03 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.462 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.13 -46.05 22.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.177 0.513 . . . . 0.0 110.532 -179.478 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.6 -36.99 83.95 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 165' ' ' ALA . . . . . . . . . . . . . . . -59.11 -45.76 90.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.715 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.74 -42.28 74.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.927 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.7 -56.14 25.59 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.389 -178.731 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 168' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -53.06 -48.8 67.39 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.221 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -60.6 -48.42 81.87 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.059 0.457 . . . . 0.0 110.269 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 7.6 tt -57.37 -43.36 83.49 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.356 -178.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -58.66 -43.44 96.27 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 172' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -58.58 -40.59 83.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.825 0.345 . . . . 0.0 110.45 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -61.46 -52.8 63.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.945 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 174' ' ' LEU . . . . . 0.411 HD12 ' N ' ' B' ' 174' ' ' LEU . 10.9 mp -63.58 -37.99 89.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.02 0.438 . . . . 0.0 110.493 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 175' ' ' LEU . . . . . 0.607 HD13 ' O ' ' B' ' 175' ' ' LEU . 0.2 OUTLIER -66.48 -42.29 87.71 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 120.265 -0.574 . . . . 0.0 110.554 -179.529 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.707 0 C-N-CA 120.559 -0.457 . . . . 0.0 111.152 -179.78 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 182' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.26 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 183' ' ' LEU . . . . . . . . . . . . . 8.5 tp -56.82 -51.31 69.47 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.713 -176.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 184' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -68.64 -30.95 69.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.726 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -60.24 -58.15 9.75 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.646 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 186' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.325 -179.921 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.0 mtm . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -156.82 159.77 38.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.557 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -98.08 122.54 41.34 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.418 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 27.3 mt -84.02 155.4 22.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.842 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.54 151.84 76.36 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.728 -179.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -68.91 154.75 70.37 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.661 2.241 . . . . 0.0 111.938 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.09 151.11 69.66 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.063 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -60.34 166.64 9.03 Favored 'Trans proline' 0 N--CA 1.495 1.594 0 C-N-CA 122.49 2.127 . . . . 0.0 112.115 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -38.08 131.81 0.88 Allowed 'Trans proline' 0 C--N 1.311 -1.437 0 C-N-CA 122.654 2.236 . . . . 0.0 111.312 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.8 tp -97.23 112.12 60.01 Favored Pre-proline 0 CA--C 1.541 0.632 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.975 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_exo -54.71 163.57 3.83 Favored 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 122.581 2.187 . . . . 0.0 112.14 177.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.89 -23.88 65.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.043 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -60.12 -11.36 5.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.752 -179.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -122.46 28.33 7.44 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 121.195 0.522 . . . . 0.0 110.65 -179.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.2 pttt -63.09 -31.1 72.16 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.65 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.7 m -63.93 -44.79 91.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.775 0.321 . . . . 0.0 111.657 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.6 pt -87.18 -9.9 11.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.964 -179.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -49.82 -48.72 50.66 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.954 -179.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -65.11 -40.59 94.75 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.036 0.446 . . . . 0.0 110.852 -178.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -57.58 -42.49 83.24 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.327 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 59.0 mt -63.08 -44.53 95.5 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.532 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -62.34 -38.53 89.84 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.27 0.557 . . . . 0.0 110.586 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 90.0 m -60.91 -42.2 97.59 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.928 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.21 -39.64 94.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.509 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.4 mm100 -55.15 -42.4 73.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.953 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -72.81 -48.97 33.42 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.427 0.632 . . . . 0.0 110.704 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.434 ' O ' ' O ' ' A' ' 31' ' ' ASP . 15.8 m80 -64.03 -25.3 68.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.187 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -53.34 -45.44 69.11 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.341 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -75.94 -48.61 20.54 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.85 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -63.08 -50.77 69.25 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.967 0.413 . . . . 0.0 110.783 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.434 ' O ' ' O ' ' A' ' 27' ' ' HIS . 5.6 m-20 -153.99 116.24 2.6 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.895 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -70.24 -19.89 33.26 Favored 'Trans proline' 0 C--N 1.313 -1.297 0 C-N-CA 122.141 1.894 . . . . 0.0 112.345 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 83.0 t -61.34 -50.84 78.79 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.927 -179.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 57.8 t -68.37 -43.12 84.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.012 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.88 -39.33 88.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.69 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.551 ' CD2' ' CD1' ' A' ' 80' ' ' ILE . 77.9 t80 -60.44 -53.95 51.47 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.232 0.539 . . . . 0.0 110.705 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -62.71 -34.37 77.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.095 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.5 m -60.27 -44.96 94.87 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.151 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -60.27 -38.76 84.57 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.7 tp -57.7 -44.79 86.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.981 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.54 ' CE1' ' OD1' ' A' ' 126' ' ' ASP . 65.0 t80 -57.68 -46.65 84.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.119 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.34 -52.7 63.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.809 -179.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.8 ttp -57.51 -46.52 83.69 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.671 -179.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -63.47 -41.77 98.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.349 0.595 . . . . 0.0 110.718 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.0 m -72.08 -34.96 69.08 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.497 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -60.75 -49.13 81.96 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 111.769 -0.532 . . . . 0.0 111.769 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.59 ' SD ' ' N ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -68.99 -34.8 75.88 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-O 121.012 0.434 . . . . 0.0 110.022 179.681 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.59 ' N ' ' SD ' ' A' ' 47' ' ' MET . 88.7 tttt -62.35 -43.46 98.76 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.481 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 93.3 mt -67.33 -46.59 83.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.731 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.563 ' O ' ' O ' ' A' ' 47' ' ' MET . 4.8 p-10 -142.97 -148.75 0.24 Allowed 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.571 -178.644 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 50' ' ' ASP . 1.7 m 157.44 14.31 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.612 ' O ' ' O ' ' A' ' 53' ' ' THR . 60.4 tttt -125.85 -139.73 0.28 Allowed 'General case' 0 CA--C 1.515 -0.375 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.612 ' O ' ' O ' ' A' ' 52' ' ' LYS . 0.6 OUTLIER 38.61 113.43 0.0 OUTLIER Pre-proline 0 CA--C 1.541 0.613 0 O-C-N 124.415 1.072 . . . . 0.0 111.071 -179.722 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -40.52 -27.55 0.28 Allowed 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 121.588 1.525 . . . . 0.0 112.251 -179.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 53' ' ' THR . 44.4 mt-10 -67.43 -45.25 76.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.911 0.386 . . . . 0.0 110.19 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.56 ' SG ' ' OD2' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -71.45 -53.58 13.5 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.257 179.748 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -47.46 -46.84 27.19 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.359 -178.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm -66.58 -42.03 87.65 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.94 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -58.99 -46.47 88.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.756 -179.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.87 -41.45 99.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.269 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 52.9 p -58.94 -44.28 91.35 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.363 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -65.19 -44.48 88.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.45 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 35.7 tp -61.81 -43.04 99.65 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.868 -178.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.7 ttt -61.59 -41.81 97.97 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.391 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -60.29 -41.31 93.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.654 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -63.52 -40.56 97.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.414 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.9 mt -62.13 -44.34 96.85 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.23 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -62.9 -46.48 87.6 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.68 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.67 -41.41 99.07 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.424 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.569 HD13 ' O ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -61.31 -46.63 89.51 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.414 -0.515 . . . . 0.0 110.581 -178.757 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -58.3 -42.53 86.84 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.143 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? -63.71 -42.18 97.99 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.953 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -54.2 -50.03 68.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.686 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 70.0 mt -67.3 -29.48 69.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.605 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.66 -85.76 1.42 Allowed Glycine 0 N--CA 1.452 -0.256 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.5 ' O ' ' O ' ' A' ' 77' ' ' ASN . 0.0 OUTLIER -115.7 -64.95 1.24 Allowed 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.813 0.34 . . . . 0.0 110.401 -178.775 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.5 ' O ' ' O ' ' A' ' 76' ' ' ASP . 44.4 t-20 50.58 113.63 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.451 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -51.25 -30.92 19.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.908 0.385 . . . . 0.0 110.295 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.04 -32.19 71.52 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.131 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.551 ' CD1' ' CD2' ' A' ' 36' ' ' TYR . 7.7 mm -93.26 -49.22 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.013 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.499 HG23 ' O ' ' A' ' 76' ' ' ASP . 1.0 OUTLIER -63.41 -52.87 59.77 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.325 -179.784 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -99.0 98.07 9.15 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.231 0.539 . . . . 0.0 110.313 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.662 ' CD ' ' H ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -59.91 -21.07 60.62 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.804 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 84.6 mt -58.53 -51.75 67.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.129 -179.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.0 m -74.29 -36.21 42.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.899 0.38 . . . . 0.0 110.497 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -61.34 -45.17 97.0 Favored Glycine 0 CA--C 1.52 0.357 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 3.0 t -64.75 -49.88 69.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.876 0.369 . . . . 0.0 110.418 179.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.09 -39.36 72.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.409 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -63.77 -43.67 95.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.742 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.2 mt -60.95 -41.74 96.91 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.379 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -61.24 -43.86 98.19 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.459 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -64.08 -41.27 97.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.766 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -60.01 -47.89 83.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.383 -179.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.37 -41.12 98.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.427 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 8.3 mt -61.79 -46.24 90.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.32 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -60.09 -43.88 95.21 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.601 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 24.3 tpp -63.94 -46.72 83.46 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.396 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.547 ' CE2' ' OD2' ' A' ' 102' ' ' ASP . 37.1 t80 -62.29 -52.72 62.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.303 -179.112 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.61 -40.85 72.64 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.109 -178.485 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -56.55 -47.4 79.55 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.005 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.654 ' HB1' ' CE2' ' A' ' 118' ' ' PHE . . . -65.45 -40.24 93.01 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 121.178 0.513 . . . . 0.0 110.392 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.547 ' OD2' ' CE2' ' A' ' 98' ' ' PHE . 85.8 m-20 -64.59 -38.51 91.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.341 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -60.37 -47.49 85.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.033 0.444 . . . . 0.0 110.185 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -72.26 -26.47 62.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.66 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -60.87 -52.25 65.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 48.8 ptt85 -72.91 -28.5 62.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.801 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.86 -14.09 50.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.368 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 81.23 32.71 30.85 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.553 ' O ' ' SD ' ' A' ' 114' ' ' MET . 28.6 ttm180 -125.18 106.01 9.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.628 0.252 . . . . 0.0 110.562 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.486 ' O ' ' CG ' ' A' ' 111' ' ' HIS . 24.3 m-85 -111.87 142.26 44.47 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.168 -179.646 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.486 ' CG ' ' O ' ' A' ' 110' ' ' PHE . 51.3 m-70 -163.29 171.0 16.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.266 0.555 . . . . 0.0 110.407 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.656 ' HA ' HD12 ' A' ' 115' ' ' ILE . 0.5 OUTLIER -63.0 -34.17 76.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.616 179.824 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.461 ' OD1' ' N ' ' A' ' 114' ' ' MET . 5.0 p30 -57.8 -45.52 85.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.187 0.518 . . . . 0.0 110.395 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.553 ' SD ' ' O ' ' A' ' 109' ' ' ARG . 72.9 mtp -64.55 -38.07 89.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.697 179.489 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.656 HD12 ' HA ' ' A' ' 112' ' ' LYS . 96.5 mt -57.06 -42.19 78.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 -179.472 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.538 ' NZ ' ' OG ' ' B' ' 180' ' ' SER . 38.5 ttmt -65.18 -37.73 88.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.29 178.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 42.2 m -58.83 -47.31 85.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.959 -178.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.654 ' CE2' ' HB1' ' A' ' 101' ' ' ALA . 37.5 m-85 -63.09 -50.12 71.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 110.701 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -62.01 -49.35 76.39 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.378 0.608 . . . . 0.0 110.493 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 95.3 m -57.76 -41.68 82.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.762 -179.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -57.65 -37.45 73.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.223 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 36.3 p -62.0 -41.24 97.84 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.131 0.491 . . . . 0.0 110.398 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 54.3 mt -61.53 -39.26 90.4 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.072 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -62.68 -41.93 99.36 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.599 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.509 ' HA ' HD12 ' A' ' 128' ' ' ILE . 96.8 mt -58.57 -41.96 83.41 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.084 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.54 ' OD1' ' CE1' ' A' ' 41' ' ' TYR . 18.7 t0 -58.87 -42.87 90.5 Favored 'General case' 0 C--O 1.254 1.341 0 CA-C-O 122.018 0.913 . . . . 0.0 110.26 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.798 ' O ' HG22 ' A' ' 130' ' ' VAL . 97.6 t -61.68 -25.94 38.3 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.653 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.294 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.509 HD12 ' HA ' ' A' ' 125' ' ' ILE . 96.7 mt -76.11 -40.7 37.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.462 0.649 . . . . 0.0 110.233 178.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.512 HG22 ' HG ' ' A' ' 134' ' ' LEU . 18.0 p -58.01 -40.76 81.59 Favored 'General case' 0 CA--C 1.511 -0.534 0 O-C-N 121.789 -0.569 . . . . 0.0 111.378 -177.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.798 HG22 ' O ' ' A' ' 127' ' ' VAL . 11.9 m -44.26 -29.0 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.839 -179.309 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -63.07 -29.4 70.78 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 120.885 0.374 . . . . 0.0 110.3 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 111.97 -15.16 26.13 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.459 ' O ' ' CB ' ' A' ' 134' ' ' LEU . 84.7 mt-10 -77.85 -127.5 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.814 0.34 . . . . 0.0 110.314 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.512 ' HG ' HG22 ' A' ' 129' ' ' THR . 0.4 OUTLIER 81.64 101.89 0.06 Allowed 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.553 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 11.7 p -94.87 168.04 11.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.832 179.033 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -54.63 -37.1 65.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.255 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -52.74 -50.98 62.35 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.095 0.474 . . . . 0.0 110.748 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -62.46 -38.04 88.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.192 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 94.1 t -59.98 -44.39 94.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.007 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -58.31 -41.81 85.32 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 6.3 m170 -64.09 -43.16 96.23 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.888 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -57.57 -43.92 84.89 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.146 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 10.6 ttmm -62.87 -37.38 86.64 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.471 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -71.14 -42.73 68.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.603 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -61.45 -45.31 94.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.722 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 54.4 mtt-85 -64.31 -43.65 94.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.961 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 31.2 t90 -65.23 -46.81 79.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.579 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 9.4 ttmm -64.04 -34.4 77.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.824 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -63.13 -50.38 70.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.588 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 56.7 p -75.25 -41.24 57.86 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.183 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -51.81 -50.53 60.61 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.232 -178.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 84.1 mt -67.41 -44.01 87.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.727 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 46.8 t60 -63.71 -45.15 91.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.764 -178.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' ASN . . . . . 0.441 ' ND2' ' OE1' ' B' ' 166' ' ' GLU . 20.3 t-20 -62.87 -42.88 99.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.475 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 84.4 m -65.74 -33.86 76.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.21 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.517 ' O ' HD12 ' A' ' 156' ' ' LEU . 0.9 OUTLIER -60.92 -46.12 91.93 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 121.084 0.469 . . . . 0.0 110.096 179.609 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 31.7 mttm -64.36 -36.36 83.88 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.689 -178.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -69.6 -18.87 63.65 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.668 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 83.96 46.26 6.01 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -129.04 141.83 51.1 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.958 0.408 . . . . 0.0 110.572 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' THR . . . . . 0.555 ' O ' HG23 ' A' ' 161' ' ' THR . 11.3 t -78.61 123.34 85.52 Favored Pre-proline 0 CA--C 1.541 0.601 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.751 -179.38 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_exo -46.62 166.6 0.07 OUTLIER 'Trans proline' 0 N--CA 1.495 1.575 0 C-N-CA 122.52 2.147 . . . . 0.0 112.358 179.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 C--O 1.233 0.202 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.34 179.887 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 -0.049 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -131.24 150.71 77.26 Favored Pre-proline 0 CA--C 1.536 0.411 0 C-N-CA 121.197 -0.201 . . . . 0.0 110.626 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -77.78 163.01 29.32 Favored 'Trans proline' 0 C--N 1.314 -1.275 0 C-N-CA 122.84 2.36 . . . . 0.0 111.956 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 157' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -61.4 126.41 27.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.125 0.488 . . . . 0.0 109.783 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 24.7 mt -109.52 138.62 45.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.506 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -84.16 114.17 21.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.05 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 160' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -57.71 -34.57 69.59 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.19 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 161' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -67.0 -62.69 1.31 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.316 0.579 . . . . 0.0 111.492 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 162' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' B' ' 162' ' ' ASP . 0.7 OUTLIER -62.21 -38.65 89.97 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.796 -179.47 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 15.9 tp -56.87 -43.31 81.09 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 123.427 0.454 . . . . 0.0 110.434 -178.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.06 -34.63 78.08 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.409 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 165' ' ' ALA . . . . . . . . . . . . . . . -61.1 -47.58 85.65 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.204 0.526 . . . . 0.0 111.288 -179.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 166' ' ' GLU . . . . . 0.441 ' OE1' ' ND2' ' A' ' 154' ' ' ASN . 0.0 OUTLIER -68.83 -39.2 80.12 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.115 -179.399 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 167' ' ' LEU . . . . . 0.444 HD13 ' O ' ' B' ' 167' ' ' LEU . 0.2 OUTLIER -60.97 -53.76 53.3 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.117 -0.633 . . . . 0.0 110.14 -178.478 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 168' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -53.7 -44.65 69.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.075 -178.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -58.2 -47.78 82.41 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.781 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 10.4 tp -57.68 -46.29 84.48 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.384 -178.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -54.37 -42.81 75.52 Favored Glycine 0 CA--C 1.525 0.67 0 C-N-CA 120.461 -0.876 . . . . 0.0 111.102 -179.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 172' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.0 -47.13 86.18 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.071 0.462 . . . . 0.0 111.226 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -59.94 -51.68 68.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.58 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 174' ' ' LEU . . . . . 0.406 ' N ' HD12 ' B' ' 174' ' ' LEU . 9.0 mp -63.4 -34.27 77.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.274 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 4.9 tt -61.7 -32.1 72.28 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.699 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -59.46 -29.83 68.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.965 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 177' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -104.38 91.19 3.8 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.789 0.328 . . . . 0.0 110.751 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 178' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.18 -37.27 72.16 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.766 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 179' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -107.4 109.67 21.46 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.258 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 180' ' ' SER . . . . . 0.538 ' OG ' ' NZ ' ' A' ' 116' ' ' LYS . 4.0 m -129.35 120.98 26.51 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 64.8 m -57.59 -35.54 70.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.783 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 182' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -57.19 -37.37 72.06 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.505 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 183' ' ' LEU . . . . . 0.626 ' O ' HD23 ' B' ' 183' ' ' LEU . 2.0 tt -60.38 -45.09 94.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.132 0.491 . . . . 0.0 109.962 -179.261 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 184' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -67.19 -27.11 66.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.832 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -63.89 -54.17 39.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.476 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 186' ' ' ALA . . . . . . . . . . . . . . . -71.69 -36.79 70.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.069 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 187' ' ' ALA . . . . . . . . . . . . . . . -55.26 -65.77 0.53 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.976 -179.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 188' ' ' SER . . . . . . . . . . . . . 16.2 m -73.37 -43.3 60.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.982 0.42 . . . . 0.0 110.646 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 189' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.564 -179.936 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.2 ptm . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.79 138.68 57.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.395 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -107.24 124.72 50.17 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.527 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.519 HD12 ' N ' ' A' ' 4' ' ' LEU . 10.1 mp -78.58 166.14 22.9 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.501 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.39 150.69 32.13 Favored Pre-proline 0 N--CA 1.445 -0.692 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.03 -178.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_exo -59.46 148.45 86.88 Favored 'Trans proline' 0 N--CA 1.501 1.954 0 C-N-CA 122.618 2.212 . . . . 0.0 112.647 178.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 19.4 mt -73.27 154.33 90.26 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.637 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -55.22 166.92 2.03 Favored 'Trans proline' 0 N--CA 1.493 1.494 0 C-N-CA 122.526 2.151 . . . . 0.0 112.283 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -40.54 125.65 2.04 Favored 'Trans proline' 0 C--N 1.312 -1.36 0 C-N-CA 122.445 2.097 . . . . 0.0 111.749 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.8 tt -93.33 113.76 60.97 Favored Pre-proline 0 CA--C 1.543 0.696 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.742 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -76.77 161.5 33.47 Favored 'Trans proline' 0 N--CA 1.494 1.517 0 C-N-CA 122.639 2.226 . . . . 0.0 112.304 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.74 -21.35 62.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.329 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -54.57 -42.06 70.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.525 ' HB3' HD11 ' A' ' 17' ' ' ILE . 57.2 m-85 -101.88 43.01 1.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.677 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -82.75 -28.36 30.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.89 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 83.5 p -70.01 -12.71 61.81 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.624 -179.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.525 HD11 ' HB3' ' A' ' 14' ' ' PHE . 41.2 pt -114.04 -1.56 9.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.446 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -56.35 -41.01 75.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.709 -179.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.5 m80 -58.87 -36.98 75.52 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.581 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -67.9 -45.42 74.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.385 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 63.0 mt -62.2 -41.29 98.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.64 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -68.98 -45.19 71.27 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.944 0.402 . . . . 0.0 111.063 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.8 m -62.66 -43.29 99.19 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.67 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 28' ' ' ASP . . . -63.55 -47.89 79.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.087 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 72.3 mm-40 -53.53 -41.27 66.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 0.0 110.777 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -68.82 -55.57 10.76 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.255 0.55 . . . . 0.0 110.113 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.489 ' O ' ' N ' ' A' ' 31' ' ' ASP . 0.9 OUTLIER -66.59 -18.67 65.49 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.98 -179.18 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 24' ' ' ALA . 41.4 t0 -57.77 -35.87 71.36 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.115 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 52.3 tttm -70.68 -39.36 73.57 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.334 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -83.59 -58.25 2.89 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 27' ' ' HIS . 53.7 m-20 -121.55 101.39 43.36 Favored Pre-proline 0 CA--C 1.543 0.68 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.168 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -72.31 -25.25 18.75 Favored 'Trans proline' 0 N--CA 1.492 1.384 0 C-N-CA 122.182 1.921 . . . . 0.0 111.702 -179.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 62.2 t -64.3 -48.31 85.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.025 0.44 . . . . 0.0 110.656 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 97.3 t -64.71 -44.07 96.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.714 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.56 -36.7 83.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.524 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -58.89 -50.83 72.53 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.071 0.462 . . . . 0.0 110.014 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -68.86 -37.29 79.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.491 179.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 5.6 t -58.57 -48.39 81.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.478 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.46 -41.52 97.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.978 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 tp -57.64 -44.48 85.63 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.178 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -58.31 -43.68 88.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.219 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.15 -51.03 71.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.538 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 44.1 ttp -55.95 -45.85 78.73 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 121.084 0.469 . . . . 0.0 110.305 -178.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -63.27 -47.47 82.25 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.757 0.789 . . . . 0.0 110.917 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.8 m -68.46 -23.02 64.54 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.334 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -67.77 -48.37 55.85 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.482 ' HG3' ' N ' ' A' ' 48' ' ' LYS . 2.2 ptt? -65.17 -35.64 81.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.04 0.448 . . . . 0.0 110.216 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.482 ' N ' ' HG3' ' A' ' 47' ' ' MET . 51.0 mttp -65.31 -43.51 90.82 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.576 -179.497 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 79.0 mt -69.51 -48.24 67.54 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.137 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.431 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.482 ' OD2' ' SG ' ' A' ' 56' ' ' CYS . 0.3 OUTLIER -67.92 176.84 2.39 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 121.142 0.496 . . . . 0.0 110.04 -178.762 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.3 t -136.0 49.21 2.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.763 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 49.3 tttp 59.31 89.55 0.06 Allowed 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.436 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -143.6 150.86 52.27 Favored Pre-proline 0 CA--C 1.533 0.318 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.529 179.522 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -45.42 -43.46 17.43 Favored 'Trans proline' 0 C--N 1.313 -1.296 0 C-N-CA 122.254 1.97 . . . . 0.0 112.431 179.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 21.4 mp0 -59.68 -55.86 29.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.604 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.553 ' SG ' HD13 ' A' ' 60' ' ' LEU . 46.6 t -61.76 -33.63 74.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.469 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -58.39 -49.63 76.58 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.775 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.444 ' O ' ' OG ' ' A' ' 61' ' ' SER . 63.0 mttp -69.15 -40.87 77.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.178 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -61.75 -49.82 74.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.332 -178.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.553 HD13 ' SG ' ' A' ' 56' ' ' CYS . 7.4 mp -64.17 -40.38 95.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.358 179.243 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.444 ' OG ' ' O ' ' A' ' 58' ' ' LYS . 80.6 p -58.97 -44.52 91.54 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.496 -0.482 . . . . 0.0 110.374 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -68.1 -44.34 76.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.993 0.425 . . . . 0.0 110.679 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 33.6 tp -62.6 -41.47 98.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.334 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.44 ' C ' ' SD ' ' A' ' 64' ' ' MET . 14.4 tmm? -62.66 -40.25 96.47 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.666 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -62.12 -40.94 97.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.577 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -63.16 -38.52 91.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.372 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mt -61.26 -43.63 98.56 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.586 -0.445 . . . . 0.0 110.457 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -66.13 -40.53 90.72 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.197 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.96 -43.35 88.2 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.301 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.501 HD13 ' O ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -57.79 -43.8 85.83 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.264 -0.574 . . . . 0.0 109.601 -178.068 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -61.49 -39.82 92.34 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.685 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.1 tptt -65.53 -38.74 90.53 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.857 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -58.66 -47.8 83.23 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.563 -179.29 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.421 HD13 HD22 ' A' ' 77' ' ' ASN . 54.7 mt -67.1 -30.18 70.14 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.409 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.98 -84.49 0.69 Allowed Glycine 0 CA--C 1.518 0.219 0 N-CA-C 111.63 -0.588 . . . . 0.0 111.63 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -117.65 97.61 5.95 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.907 0.385 . . . . 0.0 111.443 -179.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.421 HD22 HD13 ' A' ' 74' ' ' LEU . 48.1 t-20 -129.26 117.97 21.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.987 -0.552 . . . . 0.0 109.902 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.532 ' H ' ' CD ' ' A' ' 78' ' ' GLU . 40.6 mp0 -62.46 -45.49 92.82 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.651 -178.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.406 ' HA ' HG13 ' A' ' 85' ' ' VAL . . . -56.6 -24.8 50.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.386 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 39.4 mm -98.98 -48.24 12.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.658 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 34.5 p -62.05 -31.64 72.07 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.858 -179.177 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -125.76 117.33 23.2 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.24 0.543 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -64.56 -24.97 67.78 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.395 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 58.3 mt -53.15 -58.63 2.63 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-O 121.095 0.474 . . . . 0.0 110.707 -179.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.429 ' H ' HG12 ' A' ' 85' ' ' VAL . 1.7 p -73.32 -32.05 36.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.23 179.196 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.593 ' O ' ' ND1' ' A' ' 89' ' ' HIS . . . -61.07 -38.1 94.99 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.344 -1.103 . . . . 0.0 110.344 -179.587 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 20.8 t -72.66 -49.27 32.8 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.026 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.14 -49.28 64.02 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.629 -179.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.593 ' ND1' ' O ' ' A' ' 86' ' ' GLY . 0.1 OUTLIER -59.88 -45.77 91.45 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.163 0.506 . . . . 0.0 110.019 179.602 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.515 ' N ' ' CG ' ' A' ' 89' ' ' HIS . 0.7 OUTLIER -58.81 -43.38 90.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.25 -178.77 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.47 -44.13 95.35 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.263 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -64.47 -43.22 94.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -62.15 -47.68 83.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.65 -41.77 83.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.0 tp -61.66 -44.05 97.7 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.459 -179.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -64.89 -39.59 93.76 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.769 -179.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 36.0 ttm -64.79 -47.51 77.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.693 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -58.06 -47.54 82.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.511 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -61.36 -40.09 93.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.837 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.421 ' CE2' ' OE2' ' A' ' 104' ' ' GLU . 37.8 t80 -53.65 -49.04 68.79 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 120.326 -0.55 . . . . 0.0 110.048 -179.223 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.412 ' HB1' ' CE2' ' A' ' 118' ' ' PHE . . . -69.54 -41.75 75.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.155 0.502 . . . . 0.0 110.865 179.449 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -63.84 -36.46 83.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.484 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -65.41 -43.58 90.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.561 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.421 ' OE2' ' CE2' ' A' ' 100' ' ' TYR . 39.5 mt-10 -66.79 -38.37 86.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.598 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -60.07 -48.7 80.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.143 0.497 . . . . 0.0 110.769 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -61.58 -41.63 97.69 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.35 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.33 -4.94 2.95 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.368 -179.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 77.5 32.93 45.08 Favored Glycine 0 C--N 1.331 0.257 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 -111.22 107.9 17.36 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.739 0.304 . . . . 0.0 110.786 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.508 ' O ' ' CG ' ' A' ' 111' ' ' HIS . 30.3 m-85 -102.98 134.93 45.59 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.528 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.508 ' CG ' ' O ' ' A' ' 110' ' ' PHE . 32.3 m-70 -163.56 151.05 12.69 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 121.199 0.523 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 54.6 pttt -58.19 -26.9 63.35 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.119 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 44.2 m-20 -64.08 -41.63 97.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.619 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 5.1 ptm -63.01 -37.63 87.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.999 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 88.7 mt -61.61 -45.01 99.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.93 -178.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -62.13 -40.28 95.39 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.762 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 52.1 m -60.46 -45.28 94.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.412 ' CE2' ' HB1' ' A' ' 101' ' ' ALA . 10.7 m-85 -61.13 -48.46 81.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.99 0.424 . . . . 0.0 110.368 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -61.56 -51.59 67.95 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 120.243 -0.583 . . . . 0.0 109.934 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 14.1 m -58.36 -39.89 80.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.08 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -57.28 -38.69 74.31 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.276 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 10.4 p -63.61 -41.75 98.28 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.564 0.697 . . . . 0.0 110.178 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 34.5 mt -61.18 -40.11 92.66 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.221 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 94.3 mt -63.13 -41.99 99.41 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.63 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 73.3 mt -57.78 -43.04 83.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 C-N-CA 120.211 -0.595 . . . . 0.0 110.195 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.42 ' O ' ' OG1' ' A' ' 129' ' ' THR . 79.8 m-20 -60.78 -39.81 90.22 Favored 'General case' 0 C--O 1.243 0.727 0 CA-C-O 121.725 0.774 . . . . 0.0 109.486 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.645 ' O ' HG22 ' A' ' 130' ' ' VAL . 53.4 t -58.74 -32.66 47.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.372 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 60.6 mt -73.95 -43.23 52.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.147 0.498 . . . . 0.0 110.753 178.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.507 HG22 HD13 ' A' ' 134' ' ' LEU . 77.6 p -51.74 -36.93 49.03 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.592 -177.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.645 HG22 ' O ' ' A' ' 127' ' ' VAL . 3.6 m -41.58 -32.21 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.924 179.609 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -65.24 -40.14 93.64 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.532 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 129' ' ' THR . . . 96.79 -46.73 1.73 Allowed Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 23.6 mp0 -79.19 63.02 3.72 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 120.748 0.309 . . . . 0.0 111.163 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.681 ' O ' HD23 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -112.44 145.83 39.47 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 121.676 0.75 . . . . 0.0 110.297 179.449 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.402 ' H ' HG22 ' A' ' 135' ' ' THR . 2.8 t -75.33 147.73 39.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.132 178.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ASP . . . . . 0.535 ' O ' HG22 ' A' ' 139' ' ' VAL . 31.9 t70 -59.73 -38.85 82.83 Favored 'General case' 0 C--O 1.216 -0.681 0 CA-C-O 121.667 0.746 . . . . 0.0 110.35 179.556 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 136' ' ' ASP . 44.7 mm-40 -45.34 -33.56 2.55 Favored 'General case' 0 C--N 1.307 -1.255 0 O-C-N 120.997 -1.064 . . . . 0.0 111.257 179.722 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -67.63 -52.65 35.77 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 120.996 0.427 . . . . 0.0 111.76 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' VAL . . . . . 0.577 HG13 HD21 ' A' ' 134' ' ' LEU . 2.1 m -60.53 -32.37 51.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.413 0.625 . . . . 0.0 110.28 -179.263 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -63.91 -48.78 75.24 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.241 0.543 . . . . 0.0 110.3 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -60.16 -32.88 71.46 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.053 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -43.91 97.25 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.054 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -60.01 -41.19 91.62 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -69.94 -41.45 74.54 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.304 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -58.92 -39.98 83.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.913 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -65.74 -46.4 79.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.641 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 11.8 t90 -62.74 -47.26 84.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.419 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt -63.21 -36.89 85.15 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.764 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -58.37 -49.98 75.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.945 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 48.9 p -72.52 -39.17 67.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.583 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -58.75 -46.09 88.24 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.443 -179.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 91.6 mt -67.46 -42.98 87.73 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 CA-C-O 121.405 0.621 . . . . 0.0 110.955 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -62.18 -51.21 68.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.022 -178.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -64.21 -27.91 69.39 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.721 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 3.2 m -62.18 -56.44 18.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.836 0.35 . . . . 0.0 111.599 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.479 ' HG ' ' N ' ' A' ' 157' ' ' LYS . 1.7 pp -67.45 -34.14 76.58 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 120.441 -0.504 . . . . 0.0 111.663 -179.466 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.479 ' N ' ' HG ' ' A' ' 156' ' ' LEU . 48.7 mtmt -65.38 -39.82 92.73 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.119 -179.464 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 60.0 m-20 -72.84 -10.18 59.51 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.518 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 84.89 36.41 11.47 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 110.534 -1.027 . . . . 0.0 110.534 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -138.64 122.38 17.57 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 120.958 0.409 . . . . 0.0 110.574 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 5.1 t -55.01 137.61 66.04 Favored Pre-proline 0 CA--C 1.541 0.597 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.985 -178.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -75.2 150.8 37.84 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 122.496 2.131 . . . . 0.0 111.71 179.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.311 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.22 0 N-CA-C 110.681 -0.968 . . . . 0.0 110.681 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -141.17 151.55 62.14 Favored Pre-proline 0 CA--C 1.535 0.4 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.147 179.372 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_exo -54.24 -168.35 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.587 0 C-N-CA 122.321 2.014 . . . . 0.0 111.784 178.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 157' ' ' GLU . . . . . 0.442 ' CD ' ' N ' ' B' ' 157' ' ' GLU . 3.2 mp0 -100.82 118.67 37.36 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.334 179.492 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 4.1 mp -133.6 144.76 49.48 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.817 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -83.46 132.54 34.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.732 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 160' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -60.28 -42.52 95.61 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.279 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 161' ' ' ASP . . . . . 0.455 ' O ' ' HG3' ' B' ' 164' ' ' GLU . 5.5 t70 -64.74 -54.14 36.12 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.416 0.627 . . . . 0.0 110.675 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 162' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -60.27 -32.3 71.04 Favored 'General case' 0 C--N 1.315 -0.93 0 O-C-N 121.507 -0.745 . . . . 0.0 110.146 -179.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 41.2 tp -60.96 -43.06 99.29 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.535 -178.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 164' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' B' ' 161' ' ' ASP . 0.0 OUTLIER -67.56 -31.72 71.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.619 179.735 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 165' ' ' ALA . . . . . . . . . . . . . . . -60.88 -50.45 73.38 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.424 -178.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -40.38 85.85 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.946 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.26 -53.83 52.97 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 119.547 -0.861 . . . . 0.0 110.423 -177.363 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 168' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -53.23 -44.69 68.27 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -55.99 -49.47 73.54 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.929 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 5.8 tp -55.05 -47.22 75.08 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.267 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -55.43 -45.29 84.27 Favored Glycine 0 CA--C 1.525 0.67 0 C-N-CA 120.491 -0.861 . . . . 0.0 110.982 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 172' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -59.36 -44.15 92.73 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.514 0.673 . . . . 0.0 110.218 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -58.92 -55.55 33.75 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.459 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 174' ' ' LEU . . . . . 0.447 ' O ' ' OE2' ' B' ' 178' ' ' GLU . 8.7 mp -58.84 -35.76 73.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.346 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 24.8 tp -55.07 -43.05 73.54 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 120.288 -0.565 . . . . 0.0 109.703 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -53.11 -32.9 49.81 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.37 -178.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 177' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -136.41 104.4 5.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.494 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 178' ' ' GLU . . . . . 0.447 ' OE2' ' O ' ' B' ' 174' ' ' LEU . 52.2 mm-40 -112.07 -33.3 6.3 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.005 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 179' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -88.95 112.98 23.98 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.884 0.373 . . . . 0.0 111.004 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 180' ' ' SER . . . . . . . . . . . . . 9.9 m -150.76 146.61 26.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.327 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 8.3 t -62.76 -17.73 61.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.74 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 182' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -59.26 -42.21 90.61 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.57 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 183' ' ' LEU . . . . . . . . . . . . . 14.2 mt -58.71 -41.6 86.72 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.589 -0.445 . . . . 0.0 110.234 -178.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 184' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -64.58 -32.7 74.46 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -61.21 -60.31 3.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.525 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 186' ' ' ALA . . . . . . . . . . . . . . . -56.8 -37.18 70.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.428 -178.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 187' ' ' ALA . . . . . . . . . . . . . . . -68.22 -40.89 81.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.909 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 188' ' ' SER . . . . . 0.54 ' O ' ' O ' ' B' ' 189' ' ' ALA . 18.8 m -64.83 -46.42 81.99 Favored 'General case' 0 CA--C 1.516 -0.338 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.08 -179.552 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 189' ' ' ALA . . . . . 0.54 ' O ' ' O ' ' B' ' 188' ' ' SER . . . . . . . . 0 CA--C 1.556 1.187 0 O-C-N 123.888 0.743 . . . . 0.0 111.29 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.517 ' HB3' ' NE2' ' A' ' 73' ' ' GLN . . . -86.71 151.89 23.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.2 134.72 44.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.72 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.515 HD22 ' N ' ' A' ' 4' ' ' LEU . 3.7 mm? -88.96 164.34 15.16 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.641 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.25 166.87 34.52 Favored Pre-proline 0 N--CA 1.447 -0.61 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.108 -178.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -62.31 153.09 72.66 Favored 'Trans proline' 0 N--CA 1.495 1.588 0 C-N-CA 122.852 2.368 . . . . 0.0 112.075 179.043 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.7 mt -99.38 148.12 34.24 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.405 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -54.55 173.86 0.22 Allowed 'Trans proline' 0 N--CA 1.495 1.583 0 C-N-CA 122.705 2.27 . . . . 0.0 111.982 178.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -47.24 162.1 0.21 Allowed 'Trans proline' 0 C--N 1.313 -1.295 0 C-N-CA 122.725 2.284 . . . . 0.0 111.488 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -107.31 100.66 34.63 Favored Pre-proline 0 CA--C 1.542 0.638 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.449 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -53.79 145.32 50.63 Favored 'Trans proline' 0 N--CA 1.495 1.61 0 C-N-CA 122.595 2.197 . . . . 0.0 111.958 178.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.92 -30.17 68.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.011 0.434 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.439 ' OE1' ' N ' ' A' ' 13' ' ' GLN . 4.3 mp0 -58.08 -38.47 76.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.882 0.372 . . . . 0.0 110.7 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.581 ' HB3' HD11 ' A' ' 17' ' ' ILE . 11.8 m-85 -95.72 33.6 1.63 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.048 0.452 . . . . 0.0 110.911 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -80.98 -30.8 34.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.562 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.0 t -69.85 -12.66 61.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.661 0.267 . . . . 0.0 111.095 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.581 HD11 ' HB3' ' A' ' 14' ' ' PHE . 47.6 pt -112.39 3.4 8.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-O 121.007 0.432 . . . . 0.0 110.479 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -56.96 -37.07 71.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.942 -179.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.418 ' HE2' ' C ' ' B' ' 171' ' ' GLY . 77.2 m80 -58.99 -38.71 79.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.558 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 55.1 m80 -65.81 -42.45 90.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.779 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 50.0 mt -62.83 -45.7 91.38 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.066 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.1 mmm-85 -64.0 -41.13 97.59 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.182 0.515 . . . . 0.0 110.202 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 34.2 m -60.97 -44.26 97.58 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.981 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.11 -38.85 89.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.534 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -54.44 -41.11 69.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.266 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -78.5 -51.25 10.24 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.367 0.603 . . . . 0.0 110.663 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.507 ' O ' ' N ' ' A' ' 31' ' ' ASP . 45.8 m80 -57.86 -23.94 55.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.864 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.74 -46.48 64.06 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.38 -179.665 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -79.79 -46.75 16.38 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.752 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -65.67 -59.22 4.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.06 -179.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 27' ' ' HIS . 1.2 m-20 -137.74 112.9 9.12 Favored Pre-proline 0 CA--C 1.538 0.51 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.111 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -71.08 -29.12 18.17 Favored 'Trans proline' 0 N--CA 1.492 1.386 0 C-N-CA 122.236 1.957 . . . . 0.0 112.168 -179.208 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 97.4 t -61.4 -47.25 94.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.616 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 95.2 t -67.43 -45.99 84.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.265 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.09 -40.85 95.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.745 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.547 ' N ' HH21 ' A' ' 39' ' ' ARG . 90.4 t80 -60.48 -50.97 71.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.026 0.441 . . . . 0.0 110.447 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -64.92 -40.9 95.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.347 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 44.5 t -55.34 -45.32 76.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.955 0.407 . . . . 0.0 110.299 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.547 HH21 ' N ' ' A' ' 36' ' ' TYR . 68.9 mtm180 -61.23 -41.11 96.31 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.034 179.515 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.1 tp -55.52 -45.41 77.12 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.473 ' CD1' ' C ' ' A' ' 41' ' ' TYR . 15.0 t80 -57.73 -46.48 84.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.267 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.76 -48.53 79.39 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 123.772 0.67 . . . . 0.0 111.035 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 48.0 ttp -60.95 -41.3 96.03 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 120.829 0.347 . . . . 0.0 110.875 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -59.12 -48.86 80.07 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.08 0.467 . . . . 0.0 111.472 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.8 t -73.4 -36.57 66.05 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.651 -0.419 . . . . 0.0 110.95 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -57.93 -54.87 33.99 Favored Glycine 0 CA--C 1.528 0.86 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.553 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -61.62 -37.72 85.01 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.31 -44.94 88.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.007 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.503 ' O ' ' O ' ' A' ' 50' ' ' ASP . 48.2 mt -84.03 -85.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.197 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.503 ' O ' ' O ' ' A' ' 49' ' ' ILE . 15.4 t70 55.17 135.78 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.206 0 O-C-N 123.772 0.67 . . . . 0.0 111.024 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.21 9.32 42.94 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 120.814 0.34 . . . . 0.0 110.258 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.3 mttt 56.11 67.67 0.97 Allowed 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.432 -179.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.519 HG23 ' H ' ' A' ' 56' ' ' CYS . 1.2 t -145.77 151.21 45.45 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.054 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -57.06 -35.49 98.94 Favored 'Trans proline' 0 N--CA 1.495 1.575 0 C-N-CA 122.431 2.088 . . . . 0.0 112.612 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -65.74 -52.77 48.46 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.35 0.595 . . . . 0.0 110.724 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.519 ' H ' HG23 ' A' ' 53' ' ' THR . 75.2 m -66.92 -40.03 87.52 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.388 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -57.36 -43.34 83.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.05 0.452 . . . . 0.0 110.526 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.7 tptt -62.99 -40.59 98.22 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.39 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -59.13 -44.38 92.02 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.227 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.12 -42.41 98.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.367 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.4 t -58.67 -46.27 87.57 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.704 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.8 mmtm -66.87 -40.86 87.96 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.292 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 33.0 tp -61.8 -47.04 86.92 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.897 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 49.3 ttm -67.34 -35.48 79.47 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.156 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -60.4 -42.77 96.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.93 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -65.46 -45.1 85.07 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.905 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.2 mt -54.01 -48.43 70.46 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.981 -178.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -63.37 -48.75 76.61 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.361 -0.536 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.56 -40.81 88.52 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.483 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.72 -44.93 96.01 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.742 -179.007 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -61.51 -42.18 98.41 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.112 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.71 -39.19 90.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.453 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.517 ' NE2' ' HB3' ' A' ' 2' ' ' ALA . 10.8 mm-40 -58.29 -46.83 85.37 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.45 -179.449 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.4 mt -72.07 -30.02 64.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.584 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 92.37 -81.54 1.16 Allowed Glycine 0 N--CA 1.458 0.137 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.482 ' O ' ' O ' ' A' ' 77' ' ' ASN . 0.2 OUTLIER -127.36 -59.16 1.24 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.596 0.236 . . . . 0.0 111.017 -179.471 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.482 ' O ' ' O ' ' A' ' 76' ' ' ASP . 47.3 t-20 46.27 105.63 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.802 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.642 ' CD ' ' H ' ' A' ' 78' ' ' GLU . 3.2 mp0 -42.17 -41.35 2.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.977 0.418 . . . . 0.0 110.709 -179.537 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.67 -36.49 74.26 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.481 HD12 ' CD2' ' A' ' 36' ' ' TYR . 44.2 mm -88.42 -48.68 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.583 179.665 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.0 -54.55 10.83 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.942 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 78' ' ' GLU . 66.6 mt-30 -90.73 98.55 11.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.145 0.498 . . . . 0.0 110.356 -179.485 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.616 ' CD ' ' H ' ' A' ' 83' ' ' GLU . 2.0 pm0 -61.34 -21.26 63.85 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.088 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 7.4 mm -58.88 -52.44 60.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.966 0.412 . . . . 0.0 110.937 -178.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.5 m -72.54 -33.2 44.32 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -60.11 -40.33 97.01 Favored Glycine 0 C--N 1.335 0.511 0 N-CA-C 110.141 -1.184 . . . . 0.0 110.141 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.596 ' SG ' ' CZ ' ' A' ' 131' ' ' PHE . 89.5 m -65.69 -48.69 71.21 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 178.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.78 -36.55 74.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.368 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -64.23 -45.4 88.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.383 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.7 mt -62.01 -41.39 98.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.512 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -63.64 -46.19 86.76 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.211 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 -64.59 -45.27 87.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.497 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -62.82 -49.59 74.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.373 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.87 -41.07 97.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.147 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.9 tt -64.43 -41.25 96.69 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.722 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.542 ' NZ ' ' O ' ' B' ' 186' ' ' ALA . 25.3 ttpp -60.02 -44.81 94.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.591 -179.672 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 47.7 ttm -67.39 -43.88 80.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.595 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -60.41 -50.82 72.06 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -59.77 -41.82 91.9 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 120.831 0.348 . . . . 0.0 110.695 -179.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.403 ' O ' ' OD1' ' A' ' 103' ' ' ASN . 30.0 t80 -57.25 -50.41 72.98 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-O 121.211 0.529 . . . . 0.0 110.391 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.1 -39.13 79.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.108 0.48 . . . . 0.0 111.129 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.27 -42.66 99.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.314 -179.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.532 ' ND2' ' C ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -61.96 -45.84 91.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.262 0.553 . . . . 0.0 110.119 -179.874 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.486 ' N ' ' ND2' ' A' ' 103' ' ' ASN . 92.8 mt-10 -61.56 -34.16 75.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.759 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.519 ' OD2' ' NZ ' ' A' ' 148' ' ' LYS . 32.1 t0 -62.22 -56.42 18.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.18 -29.87 70.23 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.91 0.386 . . . . 0.0 110.708 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.89 -12.04 33.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.308 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 83.04 23.07 56.33 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.129 -0.789 . . . . 0.0 111.129 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -117.78 101.29 8.2 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 120.926 0.393 . . . . 0.0 110.108 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.585 ' CD1' ' N ' ' A' ' 110' ' ' PHE . 0.7 OUTLIER -110.42 142.45 42.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.614 -179.668 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.489 ' CG ' ' O ' ' A' ' 110' ' ' PHE . 76.9 m-70 -159.24 168.08 27.38 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.437 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -57.37 -37.05 72.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.283 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -64.99 -39.92 94.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.428 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 4.4 tmm? -56.8 -48.92 76.85 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.242 0.544 . . . . 0.0 109.906 -179.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 65.2 mt -61.38 -38.33 79.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.863 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -62.0 -37.74 85.98 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.608 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 23.1 t -61.86 -44.83 96.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.883 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -61.93 -45.39 93.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.895 0.379 . . . . 0.0 110.729 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -60.21 -48.51 81.44 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.36 0.6 . . . . 0.0 109.966 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 96.6 m -59.52 -42.35 92.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.035 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -53.94 -41.04 67.31 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 35.1 p -61.8 -40.51 95.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.303 0.573 . . . . 0.0 110.378 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 82.6 mt -62.23 -41.22 98.21 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.552 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.54 -39.33 94.13 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.293 0.568 . . . . 0.0 110.494 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 90.3 mt -60.12 -42.81 91.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 C-N-CA 120.227 -0.589 . . . . 0.0 109.613 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.578 ' O ' ' OG1' ' A' ' 129' ' ' THR . 0.8 OUTLIER -61.37 -39.86 92.18 Favored 'General case' 0 C--O 1.243 0.758 0 CA-C-O 122.077 0.941 . . . . 0.0 109.039 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.723 ' O ' HG22 ' A' ' 130' ' ' VAL . 57.0 t -57.55 -34.99 48.43 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.548 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 179.481 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 80.9 mt -71.56 -44.31 70.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.409 0.624 . . . . 0.0 110.783 178.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.578 ' OG1' ' O ' ' A' ' 126' ' ' ASP . 37.3 p -49.29 -36.2 20.15 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.047 0.451 . . . . 0.0 110.505 -178.113 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.723 HG22 ' O ' ' A' ' 127' ' ' VAL . 3.0 m -46.61 -15.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 C-N-CA 120.135 -0.626 . . . . 0.0 110.906 179.174 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.596 ' CZ ' ' SG ' ' A' ' 87' ' ' CYS . 25.2 m-85 -78.71 22.41 0.36 Allowed 'General case' 0 CA--C 1.513 -0.462 0 CA-C-O 120.805 0.335 . . . . 0.0 110.112 -178.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.418 ' H ' ' C ' ' A' ' 130' ' ' VAL . . . 87.35 -82.13 1.62 Allowed Glycine 0 CA--C 1.521 0.428 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.568 178.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -131.61 160.88 34.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.17 0.509 . . . . 0.0 110.503 -179.273 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.544 HD21 HG22 ' A' ' 129' ' ' THR . 0.3 OUTLIER -144.62 179.88 7.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.661 -179.563 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 7.2 t -83.0 153.23 25.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.35 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -58.57 -27.45 64.62 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.988 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -55.97 -47.04 78.4 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.308 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 47.2 m-20 -61.83 -60.78 3.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.075 0.464 . . . . 0.0 111.73 -178.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 23.1 m -51.52 -35.95 17.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.662 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -60.75 -46.99 88.3 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.602 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -61.9 -35.58 78.8 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.81 -44.75 93.84 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.356 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 16.8 ttmt -61.14 -43.94 98.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.323 -178.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -71.55 -36.12 70.85 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.287 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -60.87 -48.47 81.67 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.784 -179.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.483 ' HG3' ' N ' ' A' ' 147' ' ' TRP . 9.8 ptp180 -71.05 -40.5 71.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.257 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' TRP . . . . . 0.483 ' N ' ' HG3' ' A' ' 146' ' ' ARG . 25.2 t90 -58.2 -52.32 66.06 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 120.947 0.403 . . . . 0.0 110.67 -178.697 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.519 ' NZ ' ' OD2' ' A' ' 105' ' ' ASP . 26.8 tttm -62.02 -36.77 82.55 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.39 -179.392 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -52.69 -50.3 63.57 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.137 0.494 . . . . 0.0 110.254 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 22.2 p -70.81 -42.6 70.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.342 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -51.02 -50.17 59.06 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.503 -179.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.64 -42.69 95.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.194 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -64.63 -38.06 89.71 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.606 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -61.93 -42.32 98.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.375 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 91.5 m -66.49 -34.38 77.79 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.669 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.616 ' O ' HD23 ' A' ' 156' ' ' LEU . 4.0 tt -58.22 -50.26 74.17 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-O 121.258 0.552 . . . . 0.0 110.021 -179.588 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -63.61 -39.7 95.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.143 0.497 . . . . 0.0 110.669 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -69.74 -21.73 63.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.903 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 78.68 52.11 5.21 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -130.45 135.42 47.97 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 121.102 0.477 . . . . 0.0 111.069 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 6.6 m -56.1 129.33 73.16 Favored Pre-proline 0 CA--C 1.538 0.514 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.142 -178.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -63.9 142.36 81.7 Favored 'Trans proline' 0 N--CA 1.496 1.672 0 C-N-CA 122.301 2.0 . . . . 0.0 112.179 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 . . . . . 0 N--CA 1.462 0.155 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.33 179.866 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.23 0 N-CA-C 110.284 -1.126 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 1.2 p -123.94 151.62 65.21 Favored Pre-proline 0 CA--C 1.535 0.37 0 CA-C-O 120.623 0.249 . . . . 0.0 110.552 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.22 -171.77 0.65 Allowed 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 122.877 2.384 . . . . 0.0 111.815 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 157' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -82.23 100.0 9.62 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.041 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 12.5 mt -110.97 130.81 55.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.884 0.373 . . . . 0.0 110.691 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -68.23 135.16 51.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.16 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 160' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -66.23 -33.19 75.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 161' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.92 -49.47 70.28 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.108 0.48 . . . . 0.0 110.545 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 162' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -63.4 -41.08 98.73 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.611 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 12.8 mt -56.58 -48.09 78.13 Favored 'General case' 0 C--O 1.232 0.149 0 O-C-N 123.354 0.409 . . . . 0.0 111.247 -178.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -63.64 -35.31 80.12 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.317 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 165' ' ' ALA . . . . . . . . . . . . . . . -60.3 -46.92 88.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.116 0.484 . . . . 0.0 111.621 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.88 -45.36 71.2 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.538 -179.106 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.89 -58.28 9.34 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.115 0.483 . . . . 0.0 110.617 -178.161 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 168' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -52.14 -46.23 65.32 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.043 -178.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -58.54 -47.28 84.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.526 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 170' ' ' LEU . . . . . 0.448 ' HG ' HD13 ' B' ' 174' ' ' LEU . 53.8 tp -58.98 -44.3 91.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.161 -179.011 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 171' ' ' GLY . . . . . 0.418 ' C ' ' HE2' ' A' ' 19' ' ' HIS . . . -54.54 -44.21 78.22 Favored Glycine 0 CA--C 1.525 0.672 0 C-N-CA 120.498 -0.858 . . . . 0.0 111.075 -179.121 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 172' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -61.67 -42.7 99.28 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.195 0.521 . . . . 0.0 110.471 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -67.4 -38.35 84.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.125 0.488 . . . . 0.0 110.814 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 174' ' ' LEU . . . . . 0.448 HD13 ' HG ' ' B' ' 170' ' ' LEU . 3.9 mp -63.84 -41.3 97.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.677 -179.028 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 175' ' ' LEU . . . . . 0.688 ' O ' HD12 ' B' ' 175' ' ' LEU . 1.2 pp -87.62 -11.1 49.53 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.973 -179.278 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -82.92 -40.91 19.51 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.462 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 177' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -61.12 167.67 2.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.218 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 178' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -141.26 8.93 2.05 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.681 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 179' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -119.8 128.94 54.18 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.12 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 180' ' ' SER . . . . . . . . . . . . . 39.7 t -175.3 67.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.844 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 10.8 t -63.07 -32.7 74.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.326 0.584 . . . . 0.0 110.5 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 182' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -59.4 -32.0 69.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.531 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 183' ' ' LEU . . . . . . . . . . . . . 45.7 tp -60.29 -46.38 90.07 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 120.219 -0.593 . . . . 0.0 110.054 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 184' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -67.53 -28.17 67.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.086 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 185' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' B' ' 189' ' ' ALA . 0.5 OUTLIER -71.02 -55.81 7.5 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.688 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 186' ' ' ALA . . . . . 0.542 ' O ' ' NZ ' ' A' ' 96' ' ' LYS . . . -64.16 -38.1 89.84 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.844 0.354 . . . . 0.0 110.995 -179.692 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 187' ' ' ALA . . . . . . . . . . . . . . . -65.07 -64.93 0.75 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.128 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 188' ' ' SER . . . . . 0.427 ' O ' ' O ' ' B' ' 189' ' ' ALA . 26.9 t -70.29 -43.62 70.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.977 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 189' ' ' ALA . . . . . 0.427 ' O ' ' O ' ' B' ' 188' ' ' SER . . . . . . . . 0 C--N 1.326 -0.434 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.063 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.457 ' C ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.478 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.14 155.83 21.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.345 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.25 138.82 31.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.431 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.562 HD11 HD23 ' A' ' 70' ' ' LEU . 78.4 mt -91.54 159.54 15.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.505 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.83 156.04 74.61 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.537 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.2 143.99 45.4 Favored 'Trans proline' 0 N--CA 1.493 1.472 0 C-N-CA 122.734 2.289 . . . . 0.0 111.404 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.7 mt -93.37 146.79 32.51 Favored Pre-proline 0 C--N 1.329 -0.322 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.625 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -69.76 164.86 32.96 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 122.359 2.039 . . . . 0.0 112.372 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -52.41 128.32 27.3 Favored 'Trans proline' 0 N--CA 1.492 1.4 0 C-N-CA 122.691 2.261 . . . . 0.0 110.691 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 pp -90.09 131.55 38.67 Favored Pre-proline 0 CA--C 1.538 0.488 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.14 -179.161 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -47.58 153.35 2.19 Favored 'Trans proline' 0 N--CA 1.501 1.966 0 C-N-CA 122.362 2.041 . . . . 0.0 112.525 178.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.82 -23.06 28.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.669 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -62.23 -28.56 69.78 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.835 0.35 . . . . 0.0 110.651 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.482 ' HB3' HD11 ' A' ' 17' ' ' ILE . 20.5 m-30 -100.25 15.62 26.99 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.265 0.555 . . . . 0.0 110.869 -179.433 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.9 pttm -58.29 -26.78 63.39 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.58 178.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.8 t -68.67 -48.49 63.83 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.447 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.482 HD11 ' HB3' ' A' ' 14' ' ' PHE . 41.1 pt -76.61 -11.54 13.88 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.243 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.282 -179.375 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -50.89 -44.98 59.95 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.358 -179.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -65.01 -40.84 95.49 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.771 -0.371 . . . . 0.0 110.175 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.546 ' NE2' ' CG2' ' A' ' 127' ' ' VAL . 2.0 t-80 -62.55 -42.32 99.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.336 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 88.4 mt -63.39 -41.39 98.76 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.59 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.2 tpt85 -61.8 -43.86 98.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.008 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.6 m -60.96 -43.77 98.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.518 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 28' ' ' ASP . . . -55.27 -49.33 72.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.688 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -56.44 -42.85 78.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.503 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.487 ' OE1' ' N ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -66.12 -35.64 81.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.429 179.758 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.428 ' O ' ' N ' ' A' ' 31' ' ' ASP . 7.5 m80 -85.37 -18.61 33.24 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.568 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 24' ' ' ALA . 48.7 t0 -60.61 -43.15 97.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.836 0.35 . . . . 0.0 110.494 -179.478 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.1 ptpp? -68.37 -27.29 66.11 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.563 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -90.66 -64.79 1.08 Allowed 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.11 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 27' ' ' HIS . 41.5 m-20 -125.18 115.24 25.91 Favored Pre-proline 0 CA--C 1.538 0.503 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.139 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -72.48 -29.65 13.26 Favored 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 121.937 1.758 . . . . 0.0 111.997 -179.494 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 50.9 t -62.32 -46.25 96.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.004 -179.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 87.0 t -64.82 -47.06 90.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.261 179.349 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.1 -38.78 90.19 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.828 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -56.54 -49.33 75.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.895 0.379 . . . . 0.0 110.165 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -64.38 -38.93 92.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.337 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 66.5 m -58.24 -47.3 83.99 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.877 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.507 HH12 HD23 ' A' ' 70' ' ' LEU . 64.0 mtt180 -59.93 -44.35 94.38 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.438 ' O ' HD23 ' A' ' 40' ' ' LEU . 4.2 tt -60.68 -46.35 90.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.701 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.431 ' CD1' ' C ' ' A' ' 41' ' ' TYR . 2.9 t80 -52.97 -43.51 66.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.979 0.419 . . . . 0.0 110.148 178.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.5 -48.97 78.64 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.644 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.1 ttp -50.16 -63.54 1.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.834 0.35 . . . . 0.0 110.863 -178.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -54.0 -35.46 61.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.607 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 96.3 m -72.05 -40.01 68.66 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.324 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -62.79 -51.8 53.1 Favored Glycine 0 CA--C 1.527 0.784 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.858 -178.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.614 ' SD ' ' N ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -61.26 -37.95 84.95 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.855 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.614 ' N ' ' SD ' ' A' ' 47' ' ' MET . 23.7 tttp -61.62 -43.3 99.11 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.5 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.466 ' O ' ' O ' ' A' ' 50' ' ' ASP . 67.1 mt -75.89 -53.94 14.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.506 -179.583 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.466 ' O ' ' O ' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -48.16 -176.78 0.0 OUTLIER 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.367 0.603 . . . . 0.0 110.51 -178.576 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.4 m -162.46 58.29 0.22 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.705 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 91.4 mttt 63.34 101.23 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.342 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.448 ' CG2' ' SG ' ' A' ' 56' ' ' CYS . 3.7 t -165.52 146.61 5.99 Favored Pre-proline 0 C--N 1.327 -0.386 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.684 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -59.66 -39.77 70.99 Favored 'Trans proline' 0 N--CA 1.5 1.876 0 C-N-CA 122.291 1.994 . . . . 0.0 112.844 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.99 -58.5 8.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.972 0.415 . . . . 0.0 110.867 -179.418 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.448 ' SG ' ' CG2' ' A' ' 53' ' ' THR . 58.3 m -63.89 -39.75 94.92 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.704 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.0 ttm-85 -56.85 -45.86 82.15 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.697 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 44.5 tttp -65.43 -43.5 90.27 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.545 179.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -60.03 -46.62 88.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.784 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.433 HD13 ' O ' ' A' ' 56' ' ' CYS . 7.3 mp -64.13 -41.27 97.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.576 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 71.1 m -54.89 -47.21 74.59 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.544 -178.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -68.08 -41.97 81.09 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.689 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 41.7 tp -61.8 -43.8 98.13 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.519 -0.472 . . . . 0.0 110.411 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.438 ' SD ' ' OE2' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -64.71 -41.67 95.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.529 -179.636 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -62.61 -39.96 95.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.696 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -64.19 -39.25 93.59 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.508 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.5 mt -61.17 -42.29 98.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.936 0.398 . . . . 0.0 110.352 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.438 ' OE2' ' SD ' ' A' ' 64' ' ' MET . 96.7 mt-10 -63.75 -48.23 77.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.707 -179.511 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.78 -44.06 94.1 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.366 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.615 HD13 ' O ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -61.79 -41.85 98.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.235 0.541 . . . . 0.0 109.617 -179.536 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.9 tttt -55.85 -41.2 73.95 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -63.91 -44.44 92.95 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 120.728 0.299 . . . . 0.0 111.627 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -49.89 -55.15 15.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.952 0.406 . . . . 0.0 110.575 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.561 ' O ' ' N ' ' A' ' 76' ' ' ASP . 15.4 mt -66.76 -31.86 72.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.644 -179.432 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 46.57 -83.96 0.01 OUTLIER Glycine 0 CA--C 1.528 0.889 0 CA-C-N 116.11 -0.496 . . . . 0.0 112.054 178.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.561 ' N ' ' O ' ' A' ' 74' ' ' LEU . 69.3 m-20 -87.49 83.41 7.28 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.8 0.334 . . . . 0.0 111.138 -178.419 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.406 ' OD1' ' HB3' ' A' ' 79' ' ' ALA . 32.2 t-20 -143.58 119.36 10.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.803 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -72.38 -30.06 64.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.628 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.406 ' HB3' ' OD1' ' A' ' 77' ' ' ASN . . . -62.2 -37.17 84.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.329 -179.343 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.6 mp -87.47 -50.45 13.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.947 0.403 . . . . 0.0 110.405 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 75.9 p -63.55 -33.57 75.9 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.476 -178.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -121.36 112.73 18.94 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -65.25 -24.32 67.29 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.549 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.5 mt -49.8 -60.85 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.364 -178.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.442 ' H ' HG12 ' A' ' 85' ' ' VAL . 0.4 OUTLIER -72.75 -33.51 44.37 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.913 178.864 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.79 -44.77 96.71 Favored Glycine 0 CA--C 1.521 0.458 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 51.6 t -65.37 -45.84 82.52 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.47 -37.94 71.0 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.363 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -45.71 93.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.554 179.373 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.402 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.1 OUTLIER -61.54 -43.29 99.13 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.508 -177.28 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -58.87 -46.14 88.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.593 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -63.06 -45.55 91.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.727 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -65.05 -44.79 87.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.948 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.81 -42.41 98.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.685 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 69.0 mt -68.67 -38.8 80.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.742 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.52 ' NZ ' ' O ' ' B' ' 186' ' ' ALA . 11.9 tmtt? -61.82 -43.96 97.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.884 -179.393 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 11.0 tpp -65.53 -46.45 79.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.881 0.372 . . . . 0.0 110.609 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -57.47 -48.31 79.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.878 -178.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -59.19 -42.41 90.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.599 -179.182 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -55.25 -49.19 72.65 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.538 -0.465 . . . . 0.0 109.928 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.74 -44.48 70.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.888 0.375 . . . . 0.0 111.058 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -60.14 -40.46 89.88 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.193 -179.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -62.95 -43.95 97.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.475 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -65.77 -27.82 68.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.613 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.528 ' OD2' ' NZ ' ' A' ' 148' ' ' LYS . 18.1 t0 -69.06 -43.63 74.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.826 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -64.32 -38.46 91.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.978 0.418 . . . . 0.0 110.197 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.61 -9.18 8.06 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.283 -178.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 80.55 33.42 31.22 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.523 ' O ' ' SD ' ' A' ' 114' ' ' MET . 40.3 ttm180 -112.98 106.82 15.16 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.751 0.31 . . . . 0.0 110.549 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -108.69 134.14 51.82 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.093 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -157.37 163.44 38.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.386 0.612 . . . . 0.0 110.621 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.441 ' H ' ' HD2' ' A' ' 112' ' ' LYS . 6.0 mptt -64.06 -36.29 83.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.211 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.638 ' ND2' ' CE1' ' B' ' 182' ' ' TYR . 86.6 m-20 -61.06 -41.41 96.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.26 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.523 ' SD ' ' O ' ' A' ' 109' ' ' ARG . 19.1 mtp -62.88 -40.33 97.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.163 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 90.2 mt -59.45 -42.54 88.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 C-N-CA 120.333 -0.547 . . . . 0.0 109.904 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.497 ' HG3' HD21 ' B' ' 174' ' ' LEU . 82.2 tttt -63.88 -35.67 81.41 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.614 179.183 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 34.9 m -60.78 -45.15 95.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.782 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -61.66 -44.85 96.18 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.029 0.443 . . . . 0.0 110.329 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -56.92 -46.84 81.72 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.334 0.588 . . . . 0.0 109.537 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 7.1 m -57.52 -43.41 84.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.176 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -55.45 -42.71 74.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.845 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 83.1 p -60.42 -41.98 95.07 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 121.027 0.441 . . . . 0.0 110.682 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.5 mp -61.94 -42.34 98.99 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.696 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 9.0 mp -62.38 -40.55 96.82 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.6 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 83.2 mt -56.73 -43.85 80.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 C-N-CA 119.519 -0.872 . . . . 0.0 109.594 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -59.05 -40.56 85.51 Favored 'General case' 0 C--O 1.248 0.979 0 CA-C-O 121.64 0.733 . . . . 0.0 110.144 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.673 ' O ' HG22 ' A' ' 130' ' ' VAL . 88.4 t -58.1 -32.03 43.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.455 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 66.7 mt -72.85 -44.78 57.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.652 178.494 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.46 HG22 HD22 ' A' ' 134' ' ' LEU . 81.5 p -49.31 -34.77 16.42 Favored 'General case' 0 CA--C 1.513 -0.476 0 C-N-CA 120.704 -0.399 . . . . 0.0 110.32 -178.067 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.673 HG22 ' O ' ' A' ' 127' ' ' VAL . 4.8 m -42.29 -35.43 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 C-N-CA 120.237 -0.585 . . . . 0.0 111.03 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -63.02 -41.68 99.61 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 121.014 0.435 . . . . 0.0 110.563 -179.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 102.07 -17.68 53.64 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -102.02 66.26 1.02 Allowed 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.892 0.377 . . . . 0.0 110.407 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.46 HD22 HG22 ' A' ' 129' ' ' THR . 6.4 tp -94.45 123.44 37.87 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 -179.526 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 8.8 t -80.21 166.0 21.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.256 0.55 . . . . 0.0 110.475 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -58.86 -41.35 86.81 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.163 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -43.8 -49.4 8.14 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 120.835 0.35 . . . . 0.0 110.451 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.32 -39.63 92.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.155 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 85.5 t -59.81 -46.47 93.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.151 0.5 . . . . 0.0 110.463 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -63.23 -44.98 93.71 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.314 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 35.7 m170 -61.69 -42.14 98.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.164 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -52.0 -52.43 50.67 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.132 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 36.1 mmtm -67.57 -35.83 79.77 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.407 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -70.89 -41.43 71.33 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -62.28 -47.74 83.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.981 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -67.04 -40.69 87.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.567 179.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 17.9 t90 -56.81 -51.11 70.22 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.106 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.528 ' NZ ' ' OD2' ' A' ' 105' ' ' ASP . 6.0 mmtp -60.03 -42.52 94.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.454 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -58.09 -47.78 82.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.991 0.424 . . . . 0.0 110.287 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 76.3 p -72.99 -44.73 60.71 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.198 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -50.17 -52.11 38.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.723 0.297 . . . . 0.0 110.266 -178.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 85.5 mt -63.3 -43.24 98.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.147 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' HIS . . . . . 0.46 ' CE1' ' OE2' ' B' ' 173' ' ' GLU . 82.4 t60 -63.07 -44.06 96.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.983 -179.698 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -64.35 -42.12 96.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.764 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 6.6 p -66.25 -32.96 74.69 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.351 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 1.3 tp -61.37 -47.09 87.43 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.082 179.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -64.12 -39.13 93.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.42 -178.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -67.45 -20.3 65.48 Favored 'General case' 0 C--N 1.317 -0.826 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.211 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 82.33 51.55 4.34 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 110.619 -0.992 . . . . 0.0 110.619 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -135.96 128.35 30.28 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.018 0.437 . . . . 0.0 110.213 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 161' ' ' THR . . . . . 0.56 ' O ' HG23 ' A' ' 161' ' ' THR . 14.8 t -53.97 121.94 32.25 Favored Pre-proline 0 CA--C 1.538 0.519 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.427 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -49.01 138.31 27.55 Favored 'Trans proline' 0 N--CA 1.497 1.733 0 C-N-CA 121.916 1.744 . . . . 0.0 112.421 179.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 . . . . . 0 N--CA 1.463 0.217 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.108 179.558 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.462 0 N-CA-C 110.362 -1.095 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.06 131.35 22.22 Favored Pre-proline 0 CA--C 1.545 0.751 0 C-N-CA 121.011 -0.276 . . . . 0.0 110.683 -179.33 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -45.9 167.15 0.06 OUTLIER 'Trans proline' 0 N--CA 1.496 1.631 0 C-N-CA 122.084 1.856 . . . . 0.0 111.957 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 157' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -83.46 107.99 16.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.638 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 25.7 mt -113.2 125.08 53.94 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -71.42 131.22 43.04 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 160' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -57.23 -38.66 74.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 161' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -67.15 -49.9 63.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.889 0.376 . . . . 0.0 111.051 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 162' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -63.93 -38.15 90.01 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.451 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 163' ' ' LEU . . . . . 0.54 ' O ' HD23 ' B' ' 163' ' ' LEU . 2.1 tt -59.84 -44.23 94.18 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.948 0.404 . . . . 0.0 110.168 -178.571 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -65.4 -35.59 81.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.007 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 165' ' ' ALA . . . . . . . . . . . . . . . -59.67 -46.84 87.82 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.058 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.21 -37.97 72.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.834 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.77 -56.1 20.56 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.24 -178.448 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 168' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -55.26 -43.12 74.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.238 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -57.74 -47.32 82.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.37 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 170' ' ' LEU . . . . . 0.411 HD12 ' OE2' ' B' ' 173' ' ' GLU . 2.8 tp -57.98 -43.68 86.68 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.114 -179.114 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -55.54 -42.82 85.15 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.699 -0.96 . . . . 0.0 110.699 -179.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 172' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -59.07 -49.54 77.5 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.896 0.379 . . . . 0.0 110.933 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 173' ' ' GLU . . . . . 0.46 ' OE2' ' CE1' ' A' ' 153' ' ' HIS . 1.5 pt-20 -67.2 -43.65 81.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.867 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 174' ' ' LEU . . . . . 0.497 HD21 ' HG3' ' A' ' 116' ' ' LYS . 3.4 tp -64.47 -39.47 93.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.329 -178.284 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 48.9 tp -60.27 -42.69 95.92 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.889 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -71.72 -38.57 70.46 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 120.53 -0.468 . . . . 0.0 111.588 -179.357 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 177' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -46.57 141.85 3.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.513 -179.222 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 178' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -129.65 12.24 5.82 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.7 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 179' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -120.75 124.83 46.08 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.292 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 180' ' ' SER . . . . . . . . . . . . . 27.3 p -179.52 61.25 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.791 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 12.7 t -65.71 -21.25 66.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.055 0.455 . . . . 0.0 110.683 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 182' ' ' TYR . . . . . 0.638 ' CE1' ' ND2' ' A' ' 113' ' ' ASN . 15.6 m-85 -57.32 -29.91 64.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.186 -179.468 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 183' ' ' LEU . . . . . . . . . . . . . 19.1 mt -61.96 -42.12 98.76 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.385 179.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 184' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -67.59 -35.96 79.96 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 121.017 0.437 . . . . 0.0 110.456 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 185' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' B' ' 189' ' ' ALA . 66.2 mm-40 -70.73 -43.28 69.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.864 179.551 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 186' ' ' ALA . . . . . 0.52 ' O ' ' NZ ' ' A' ' 96' ' ' LYS . . . -62.61 -39.6 94.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.731 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 187' ' ' ALA . . . . . . . . . . . . . . . -71.49 -45.1 63.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.845 0.355 . . . . 0.0 110.762 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 188' ' ' SER . . . . . . . . . . . . . 4.6 t -78.73 -18.76 53.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.384 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 189' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' B' ' 185' ' ' GLU . . . . . . . . 0 CA--C 1.542 0.637 0 C-N-CA 120.344 -0.542 . . . . 0.0 110.634 -178.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 ptt? . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.36 142.45 58.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.81 131.39 39.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.353 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.637 HD22 ' N ' ' A' ' 4' ' ' LEU . 3.6 mm? -84.63 147.76 26.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.84 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.559 ' HB1' ' HD2' ' A' ' 6' ' ' PRO . . . -64.73 162.4 36.63 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.131 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.559 ' HD2' ' HB1' ' A' ' 5' ' ' ALA . 58.8 Cg_endo -71.38 148.56 55.05 Favored 'Trans proline' 0 C--N 1.309 -1.55 0 C-N-CA 122.69 2.26 . . . . 0.0 111.915 179.515 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.9 mt -90.07 147.6 37.51 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.49 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -63.81 166.35 16.26 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.652 2.235 . . . . 0.0 112.196 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -41.22 135.8 2.59 Favored 'Trans proline' 0 C--N 1.312 -1.352 0 C-N-CA 122.473 2.115 . . . . 0.0 111.878 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.44 121.6 63.05 Favored Pre-proline 0 CA--C 1.54 0.56 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.762 -179.52 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -71.31 152.13 60.85 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.251 1.967 . . . . 0.0 111.938 178.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.73 -33.29 71.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.804 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -56.47 -34.86 67.29 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.637 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -93.85 29.6 2.04 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.141 0.496 . . . . 0.0 110.163 -178.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.6 ttmt -75.03 -32.01 61.47 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.664 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.0 m -54.91 -17.94 4.3 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.672 -178.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 44.9 pt -116.39 8.99 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.52 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.3 -52.94 63.48 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.234 -178.422 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.502 ' C ' ' HD1' ' A' ' 19' ' ' HIS . 6.8 t-80 -59.73 -37.81 79.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.05 0.452 . . . . 0.0 110.732 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -64.31 -39.21 93.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.599 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.484 ' CD2' HH12 ' A' ' 39' ' ' ARG . 71.7 mt -62.33 -44.32 96.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.214 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -61.69 -40.74 96.08 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.431 -179.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.3 m -60.51 -43.24 97.29 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.99 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.424 ' O ' ' OD2' ' A' ' 28' ' ' ASP . . . -65.6 -43.86 88.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.702 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -51.06 -41.37 59.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.291 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -79.45 -48.06 14.59 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.244 0.545 . . . . 0.0 110.945 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.427 ' O ' ' N ' ' A' ' 31' ' ' ASP . 0.3 OUTLIER -62.43 -20.55 64.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.615 -179.203 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.424 ' OD2' ' O ' ' A' ' 24' ' ' ALA . 6.7 m-20 -52.57 -41.83 63.95 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -88.41 -35.12 17.27 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.251 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.536 ' NH1' ' OD1' ' B' ' 184' ' ' ASP . 26.7 ttm-85 -70.57 -58.6 3.52 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.524 -0.471 . . . . 0.0 110.76 -178.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 27' ' ' HIS . 17.1 m-20 -135.01 114.88 11.9 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.72 -179.411 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -74.99 -30.02 7.62 Favored 'Trans proline' 0 N--CA 1.489 1.264 0 C-N-CA 122.286 1.991 . . . . 0.0 112.236 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 87.6 t -61.84 -49.89 82.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.55 -179.131 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.495 ' O ' ' SG ' ' A' ' 38' ' ' CYS . 64.3 t -68.33 -45.51 82.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.357 179.346 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.11 -39.52 82.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.799 -179.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.419 ' CD2' HD12 ' A' ' 80' ' ' ILE . 87.0 t80 -60.96 -50.14 74.6 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.065 0.46 . . . . 0.0 110.391 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -66.23 -34.94 79.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.375 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.495 ' SG ' ' O ' ' A' ' 34' ' ' VAL . 91.2 m -59.4 -45.21 92.12 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.095 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.484 HH12 ' CD2' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -61.4 -44.17 97.6 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.818 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.3 tp -58.68 -44.54 90.25 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.106 -0.638 . . . . 0.0 109.683 -179.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -55.05 -47.05 75.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.988 0.423 . . . . 0.0 110.083 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.29 -46.66 89.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.237 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 7.6 ttt -59.01 -43.72 91.57 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.613 -178.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -62.91 -44.57 95.72 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.251 0.548 . . . . 0.0 110.987 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.2 m -73.6 -43.26 60.12 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.085 0.469 . . . . 0.0 110.244 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.95 -52.72 37.64 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 -179.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.48 ' O ' ' O ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -65.69 -36.05 82.53 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.9 0.381 . . . . 0.0 110.146 179.459 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.479 ' N ' ' SD ' ' A' ' 47' ' ' MET . 15.8 tttp -63.29 -40.35 97.12 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.265 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 81.4 mt -66.8 -47.04 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.527 -179.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.649 ' OD2' HG22 ' A' ' 53' ' ' THR . 22.2 t70 -153.04 -135.37 0.06 Allowed 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 118.935 -0.555 . . . . 0.0 109.63 -179.556 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.574 ' CB ' ' O ' ' A' ' 50' ' ' ASP . 24.5 p 130.62 -35.85 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.96 0 O-C-N 124.187 0.929 . . . . 0.0 110.355 179.044 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -60.76 -47.78 84.76 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.257 -178.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.673 HG23 ' H ' ' A' ' 56' ' ' CYS . 12.0 t -56.94 136.77 79.74 Favored Pre-proline 0 C--N 1.32 -0.693 0 C-N-CA 120.388 -0.525 . . . . 0.0 111.087 -179.255 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.94 -35.96 73.18 Favored 'Trans proline' 0 N--CA 1.497 1.734 0 C-N-CA 122.117 1.878 . . . . 0.0 112.641 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -55.33 -47.54 75.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.863 0.363 . . . . 0.0 110.466 -178.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.673 ' H ' HG23 ' A' ' 53' ' ' THR . 17.9 t -71.11 -32.06 68.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.076 179.488 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 59.3 ttt-85 -55.62 -52.25 64.43 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.443 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -41.4 89.26 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.699 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -60.37 -47.44 86.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.467 -179.103 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.408 ' CD1' ' SG ' ' A' ' 56' ' ' CYS . 24.4 mt -63.81 -41.42 97.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.644 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 57.1 m -53.1 -50.13 65.08 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.86 0.362 . . . . 0.0 110.644 -178.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.431 ' NZ ' ' HB3' ' A' ' 5' ' ' ALA . 53.0 tptt -65.21 -43.61 91.0 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.449 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 36.2 tp -60.71 -42.9 98.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.262 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 37.7 ttm -65.51 -41.59 93.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.006 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -62.09 -39.41 92.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.331 -179.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -62.46 -42.93 99.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.446 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.7 mt -59.67 -45.43 92.09 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.611 -179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -67.22 -43.68 81.43 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.276 0.56 . . . . 0.0 110.232 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.409 ' O ' ' HG3' ' A' ' 73' ' ' GLN . . . -62.67 -46.15 89.54 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.631 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.547 HD13 ' O ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -58.16 -42.49 86.09 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.331 -178.332 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -59.85 -41.53 91.66 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.081 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -59.99 -41.15 91.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.569 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 42.2 mt-30 -61.89 -42.65 99.33 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.381 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.3 mt -79.32 -29.15 42.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.144 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.72 -88.0 1.05 Allowed Glycine 0 N--CA 1.451 -0.366 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.455 ' O ' ' O ' ' A' ' 77' ' ' ASN . 0.4 OUTLIER -110.9 -62.98 1.46 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.835 0.35 . . . . 0.0 110.685 -179.43 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.458 ' OD1' ' HB3' ' A' ' 79' ' ' ALA . 33.9 t-20 48.49 105.83 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.674 -179.207 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.405 ' H ' ' HG3' ' A' ' 78' ' ' GLU . 84.4 mt-10 -42.81 -50.97 5.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.303 -179.457 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.458 ' HB3' ' OD1' ' A' ' 77' ' ' ASN . . . -48.16 -27.72 2.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.686 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.419 HD12 ' CD2' ' A' ' 36' ' ' TYR . 49.4 mm -102.22 -50.38 9.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.01 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.13 5.23 1.27 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.532 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -156.21 102.16 2.1 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -58.1 -22.92 52.82 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.653 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 72.6 mt -58.44 -55.8 20.32 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.678 -178.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.466 ' H ' HG12 ' A' ' 85' ' ' VAL . 1.1 p -72.16 -34.25 49.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -55.85 -50.14 62.69 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -179.098 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.605 ' SG ' ' N ' ' A' ' 88' ' ' ALA . 15.8 p -63.19 -47.42 82.66 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.739 -0.384 . . . . 0.0 109.981 179.287 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.605 ' N ' ' SG ' ' A' ' 87' ' ' CYS . . . -55.78 -35.03 65.82 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.587 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -66.06 -43.47 87.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.128 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.7 mt -60.94 -41.16 95.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.929 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -62.53 -45.31 93.56 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.839 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -60.8 -42.37 97.48 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.366 -0.533 . . . . 0.0 110.916 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -63.46 -47.65 80.95 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.771 -0.371 . . . . 0.0 111.01 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.43 -46.69 85.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.985 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.5 -40.3 96.26 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.693 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.497 ' NZ ' ' HB3' ' B' ' 189' ' ' ALA . 65.0 tttm -59.23 -44.74 92.32 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.318 -179.371 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 36.1 mmm -67.15 -42.75 83.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.047 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.478 ' CD2' ' OD2' ' A' ' 102' ' ' ASP . 38.8 t80 -63.4 -57.92 8.73 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.692 -179.174 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 99' ' ' LEU . 1.0 OUTLIER -53.74 -39.71 65.52 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.471 -179.111 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.432 ' CZ ' ' OE2' ' A' ' 104' ' ' GLU . 55.0 t80 -54.86 -48.15 73.31 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.854 -179.194 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.1 -38.87 86.43 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.989 179.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.478 ' OD2' ' CD2' ' A' ' 98' ' ' PHE . 80.4 m-20 -59.71 -46.85 87.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.789 -179.246 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -63.28 -44.07 96.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.625 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.432 ' OE2' ' CZ ' ' A' ' 100' ' ' TYR . 87.3 mt-10 -66.52 -31.74 72.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.566 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -68.38 -57.42 5.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.981 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 25.3 mtp-105 -64.33 -34.33 77.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.51 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.08 -12.1 35.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.452 -179.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 80.34 26.88 53.81 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 16.3 mmt85 -121.58 103.18 8.73 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.764 0.316 . . . . 0.0 110.227 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -99.88 141.82 32.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.329 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -154.03 169.9 22.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.677 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -62.43 -31.59 72.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.098 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -62.45 -33.6 75.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.56 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.442 ' HG2' ' N ' ' A' ' 115' ' ' ILE . 0.2 OUTLIER -57.89 -48.96 78.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.182 0.515 . . . . 0.0 109.613 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.442 ' N ' ' HG2' ' A' ' 114' ' ' MET . 53.4 mt -61.27 -44.82 99.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.553 -177.378 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.591 ' HD3' HD21 ' B' ' 174' ' ' LEU . 0.1 OUTLIER -62.31 -40.12 95.29 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.787 179.192 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 9.8 t -56.45 -51.35 68.74 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.831 -178.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -62.19 -47.3 85.11 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.484 -0.487 . . . . 0.0 110.854 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.429 ' CE1' ' CD2' ' A' ' 19' ' ' HIS . 44.3 t80 -60.94 -55.82 28.37 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-O 121.253 0.549 . . . . 0.0 110.689 -179.599 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 12.9 m -55.86 -44.38 78.02 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.247 -179.294 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -53.69 -37.58 63.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.102 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 6.5 p -62.42 -44.66 95.91 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-O 121.145 0.498 . . . . 0.0 110.901 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.9 mp -61.95 -39.88 93.65 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.161 0.505 . . . . 0.0 110.394 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 70.7 mt -62.27 -39.14 91.94 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.209 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 77.4 mt -59.68 -41.91 86.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.593 ' O ' ' OG1' ' A' ' 129' ' ' THR . 66.9 m-20 -59.43 -42.5 92.02 Favored 'General case' 0 C--O 1.245 0.856 0 CA-C-O 122.138 0.971 . . . . 0.0 109.912 179.608 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.646 ' O ' HG22 ' A' ' 130' ' ' VAL . 94.0 t -59.36 -33.15 50.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.338 179.165 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 89.3 mt -73.27 -44.31 55.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.632 178.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.692 HG22 HD11 ' A' ' 134' ' ' LEU . 36.6 p -48.25 -38.8 19.52 Favored 'General case' 0 CA--C 1.506 -0.737 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.508 -176.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.646 HG22 ' O ' ' A' ' 127' ' ' VAL . 4.3 m -41.56 -34.14 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.047 -0.661 . . . . 0.0 110.948 179.197 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -63.28 -46.43 86.84 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.43 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 107.84 44.06 1.25 Allowed Glycine 0 CA--C 1.527 0.839 0 N-CA-C 111.388 -0.685 . . . . 0.0 111.388 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -128.19 57.43 1.57 Allowed 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 121.007 0.432 . . . . 0.0 109.998 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.692 HD11 HG22 ' A' ' 129' ' ' THR . 4.1 mm? -84.92 90.04 7.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.057 0.456 . . . . 0.0 112.042 -178.551 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.49 145.83 24.15 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.395 179.47 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -39.24 -36.2 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.83 -179.432 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -57.67 -59.55 5.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.78 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' ASN . . . . . 0.511 HD22 ' CD1' ' A' ' 134' ' ' LEU . 0.3 OUTLIER -50.8 -47.5 59.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.248 0.547 . . . . 0.0 110.712 -179.29 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 139' ' ' VAL . . . . . 0.485 ' N ' ' CG ' ' A' ' 138' ' ' ASN . 70.2 t -60.76 -43.25 94.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.266 -178.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.6 -42.37 96.65 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.781 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 26.8 m170 -65.86 -43.86 87.16 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.196 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 9.8 tmm_? -58.67 -44.71 90.29 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.48 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -64.77 -38.13 89.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.819 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -69.71 -44.05 71.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.912 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -58.47 -41.71 85.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.854 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 66.7 mtp180 -69.83 -40.59 75.76 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.196 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 24.3 t90 -58.14 -51.46 69.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.836 0.351 . . . . 0.0 110.658 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 11.8 mmtm -61.99 -41.75 98.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.052 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -51.3 -52.63 43.46 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 120.719 -0.393 . . . . 0.0 111.103 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 36.2 p -69.19 -40.28 78.17 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.263 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -55.88 -48.34 75.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.948 0.404 . . . . 0.0 110.945 -178.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 36.8 mt -63.85 -44.97 98.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.508 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -55.5 -43.06 75.31 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.485 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -62.55 -38.03 88.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.503 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' CYS . . . . . 0.601 ' O ' ' OD1' ' A' ' 158' ' ' ASN . 80.6 m -60.21 -36.18 77.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.168 0.508 . . . . 0.0 110.037 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 156' ' ' LEU . 8.2 mp -67.68 -44.58 77.45 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 120.06 -0.656 . . . . 0.0 110.843 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -64.87 -43.36 93.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.442 -178.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' ASN . . . . . 0.601 ' OD1' ' O ' ' A' ' 155' ' ' CYS . 33.0 p30 -69.57 -19.97 63.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.547 -179.347 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 159' ' ' GLY . . . . . 0.562 ' N ' ' OD1' ' A' ' 158' ' ' ASN . . . 84.01 48.46 5.15 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.395 -1.082 . . . . 0.0 110.395 -178.503 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 160' ' ' GLU . . . . . 0.489 ' N ' ' OD1' ' A' ' 158' ' ' ASN . 58.4 mt-10 -141.61 159.77 41.53 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.82 0.343 . . . . 0.0 110.471 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 3.6 t -97.57 142.92 25.3 Favored Pre-proline 0 CA--C 1.535 0.383 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.297 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -68.75 155.15 69.7 Favored 'Trans proline' 0 N--CA 1.495 1.602 0 C-N-CA 122.512 2.142 . . . . 0.0 111.905 179.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 . . . . . 0 N--CA 1.464 0.23 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.079 179.777 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.259 0 N-CA-C 110.372 -1.091 . . . . 0.0 110.372 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.49 147.55 64.47 Favored Pre-proline 0 CA--C 1.535 0.38 0 CA-C-O 120.571 0.224 . . . . 0.0 110.424 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.74 -158.63 0.06 OUTLIER 'Trans proline' 0 N--CA 1.491 1.377 0 C-N-CA 122.653 2.235 . . . . 0.0 111.829 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 157' ' ' GLU . . . . . 0.538 ' N ' ' OE1' ' B' ' 157' ' ' GLU . 56.7 mp0 -99.32 117.55 34.01 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.886 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 34.6 mt -114.14 137.39 51.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.387 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -82.93 116.62 22.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.058 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 160' ' ' GLU . . . . . 0.653 ' H ' ' CD ' ' B' ' 160' ' ' GLU . 1.0 OUTLIER -54.88 -39.1 68.34 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.024 -179.412 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 161' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -62.9 -58.15 8.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.204 0.526 . . . . 0.0 110.636 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 162' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' B' ' 165' ' ' ALA . 29.9 m-20 -63.28 -48.3 78.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.435 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 14.3 tp -43.5 -49.55 7.3 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.438 -179.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -68.46 -31.24 70.4 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.971 -0.292 . . . . 0.0 110.786 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 165' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' B' ' 162' ' ' ASP . . . -65.81 -52.61 49.22 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 120.795 0.331 . . . . 0.0 111.507 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.29 -40.48 93.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.111 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.98 -50.99 68.6 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 119.841 -0.744 . . . . 0.0 110.362 -178.114 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 168' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -52.49 -46.04 66.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.235 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -60.47 -49.9 75.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.326 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 170' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' B' ' 174' ' ' LEU . 22.8 tp -59.58 -51.07 71.39 Favored 'General case' 0 C--O 1.218 -0.591 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 171' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' B' ' 175' ' ' LEU . . . -45.52 -55.24 7.05 Favored Glycine 0 C--O 1.223 -0.546 0 C-N-CA 120.296 -0.954 . . . . 0.0 111.535 -178.458 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 172' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.4 -52.13 65.89 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.542 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 173' ' ' GLU . . . . . 0.404 ' O ' ' CB ' ' B' ' 177' ' ' ASP . 75.0 tt0 -63.24 -52.01 63.9 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.523 -179.143 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 174' ' ' LEU . . . . . 0.597 ' C ' HD23 ' B' ' 174' ' ' LEU . 7.9 tt -63.21 -39.94 96.08 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.494 178.707 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 175' ' ' LEU . . . . . 0.53 ' O ' ' HB2' ' B' ' 179' ' ' ASP . 20.6 tp -46.6 -60.01 2.64 Favored 'General case' 0 C--O 1.215 -0.721 0 C-N-CA 120.045 -0.662 . . . . 0.0 110.701 179.48 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -84.03 -38.5 20.8 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -177.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 177' ' ' ASP . . . . . 0.456 ' O ' ' OE1' ' B' ' 178' ' ' GLU . 53.2 t0 -57.81 -15.36 8.06 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.491 -178.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 178' ' ' GLU . . . . . 0.54 ' O ' ' N ' ' B' ' 180' ' ' SER . 0.6 OUTLIER -119.71 -36.35 3.33 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.278 179.674 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 179' ' ' ASP . . . . . 0.53 ' HB2' ' O ' ' B' ' 175' ' ' LEU . 59.6 t0 -40.98 92.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.439 -0.504 . . . . 0.0 111.091 -178.494 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 180' ' ' SER . . . . . 0.54 ' N ' ' O ' ' B' ' 178' ' ' GLU . 0.9 OUTLIER -168.68 -143.61 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 121.081 0.467 . . . . 0.0 110.4 -179.716 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 8.5 t -67.88 -16.11 63.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.362 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 182' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -50.14 -33.9 20.47 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.537 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 183' ' ' LEU . . . . . 0.439 HD11 ' NZ ' ' A' ' 116' ' ' LYS . 7.9 mp -61.78 -40.61 95.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.569 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 184' ' ' ASP . . . . . 0.536 ' OD1' ' NH1' ' A' ' 30' ' ' ARG . 9.9 m-20 -69.74 -27.67 65.15 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.486 179.46 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -64.13 -51.18 65.17 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.552 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 186' ' ' ALA . . . . . . . . . . . . . . . -73.06 -30.96 64.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.898 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 187' ' ' ALA . . . . . . . . . . . . . . . -81.75 -55.73 4.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.989 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 188' ' ' SER . . . . . 0.434 ' N ' ' O ' ' B' ' 184' ' ' ASP . 0.9 OUTLIER -71.44 4.19 3.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.564 -179.7 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 189' ' ' ALA . . . . . 0.497 ' HB3' ' NZ ' ' A' ' 96' ' ' LYS . . . . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.634 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.4 mtp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.14 152.84 23.51 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.221 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.29 147.73 51.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.469 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.0 mt -119.01 154.62 32.79 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.927 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.3 143.96 16.91 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.466 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.81 138.27 37.27 Favored 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.48 2.12 . . . . 0.0 112.042 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 mt -75.44 150.17 84.6 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.499 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.475 ' O ' ' O ' ' A' ' 9' ' ' PRO . 17.8 Cg_endo -57.38 166.06 5.02 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 122.408 2.072 . . . . 0.0 111.963 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.475 ' O ' ' O ' ' A' ' 8' ' ' PRO . 85.6 Cg_exo -39.18 168.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.313 -1.333 0 C-N-CA 123.03 2.487 . . . . 0.0 111.708 179.481 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.66 98.85 22.13 Favored Pre-proline 0 CA--C 1.537 0.443 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.91 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -48.91 157.72 1.52 Allowed 'Trans proline' 0 N--CA 1.49 1.316 0 C-N-CA 122.18 1.92 . . . . 0.0 112.08 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.12 -40.19 92.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.137 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.9 pm0 -68.15 -23.13 64.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.03 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.478 ' O ' ' N ' ' A' ' 16' ' ' SER . 18.9 m-30 -102.68 -13.9 16.91 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-O 121.302 0.572 . . . . 0.0 110.536 -179.531 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.2 tttp -46.89 -17.04 0.04 OUTLIER 'General case' 0 C--N 1.317 -0.834 0 C-N-CA 120.191 -0.603 . . . . 0.0 110.164 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 14' ' ' PHE . 39.1 p -70.83 -53.51 15.0 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.011 0.434 . . . . 0.0 111.061 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 29.5 pt -67.99 -3.09 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.601 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -56.45 -41.02 75.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.196 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 43.4 m80 -60.49 -44.39 96.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.057 0.456 . . . . 0.0 110.73 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.608 ' HD1' ' HG ' ' A' ' 38' ' ' CYS . 1.6 t-80 -66.8 -41.32 87.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.648 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 93.2 mt -62.24 -41.71 98.67 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.633 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.67 -41.84 99.3 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.045 0.45 . . . . 0.0 109.984 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.9 m -58.36 -43.62 88.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.211 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 28' ' ' ASP . . . -67.79 -39.49 84.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.718 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.3 mm-40 -52.81 -42.5 65.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.152 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.462 ' OE2' ' OD2' ' B' ' 179' ' ' ASP . 38.7 mt-10 -75.11 -53.42 8.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.889 0.376 . . . . 0.0 110.43 179.637 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.543 ' O ' ' N ' ' A' ' 31' ' ' ASP . 63.6 m80 -60.02 -18.36 45.69 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.647 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 24' ' ' ALA . 61.5 t0 -48.94 -41.38 33.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.571 -179.181 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -90.5 -9.83 45.87 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.921 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -106.69 -62.82 1.35 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.776 0.322 . . . . 0.0 110.983 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.543 ' N ' ' O ' ' A' ' 27' ' ' HIS . 73.0 m-20 -122.36 95.6 46.86 Favored Pre-proline 0 C--O 1.235 0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.157 -179.316 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -71.14 -28.21 19.13 Favored 'Trans proline' 0 N--CA 1.492 1.439 0 C-N-CA 122.264 1.976 . . . . 0.0 111.97 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 90.2 t -61.57 -47.22 94.39 Favored 'Isoleucine or valine' 0 C--O 1.239 0.513 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.539 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.8 t -67.53 -41.9 86.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.833 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.09 -39.93 91.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.747 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -60.51 -52.23 66.09 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 121.006 0.432 . . . . 0.0 110.602 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -62.99 -36.62 84.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.227 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.608 ' HG ' ' HD1' ' A' ' 20' ' ' HIS . 11.8 t -58.87 -46.28 88.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.502 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.4 mtt-85 -58.54 -41.94 86.68 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.486 ' O ' ' HG3' ' A' ' 43' ' ' MET . 7.1 tp -56.96 -43.19 81.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.885 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -59.86 -41.12 90.76 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.3 179.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.28 -59.67 4.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.527 -178.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.486 ' HG3' ' O ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -52.08 -39.4 59.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.72 -178.549 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -68.92 -41.72 77.76 Favored 'General case' 0 CA--C 1.523 -0.085 0 CA-C-O 121.105 0.478 . . . . 0.0 111.042 -179.137 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.4 m -72.15 -41.86 66.62 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.774 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -62.42 -49.58 72.66 Favored Glycine 0 CA--C 1.522 0.52 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.814 -178.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.494 ' O ' ' O ' ' A' ' 50' ' ' ASP . 9.3 ptt? -64.83 -36.98 86.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.36 . . . . 0.0 110.434 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.5 tptt -64.11 -45.85 86.78 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.526 -179.145 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 56.4 mt -64.59 -48.08 86.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.961 -179.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.494 ' O ' ' O ' ' A' ' 47' ' ' MET . 91.4 m-20 -96.92 -175.77 3.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.293 -179.491 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.1 p 176.63 -24.7 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.581 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.5 mttm -136.72 86.39 2.21 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.916 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -178.0 134.05 0.33 Allowed Pre-proline 0 C--N 1.324 -0.534 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.797 179.332 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.78 -32.29 18.77 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 122.181 1.921 . . . . 0.0 112.255 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -59.97 -59.68 5.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.144 0.497 . . . . 0.0 110.552 -179.027 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.01 -36.19 76.68 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.982 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 67.9 ttt-85 -55.45 -43.57 75.55 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.175 -178.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.427 ' O ' ' OG ' ' A' ' 61' ' ' SER . 42.1 tttp -63.61 -41.51 98.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.118 179.511 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -60.99 -44.21 97.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.517 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.5 mt -60.78 -44.37 96.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.689 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' A' ' 58' ' ' LYS . 79.3 p -56.96 -44.68 82.86 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.163 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.1 mmtm -63.45 -39.94 95.81 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.516 179.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.511 ' O ' HD13 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -61.07 -46.84 89.01 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.454 -178.938 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 1.8 mtt -64.48 -39.24 93.44 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.515 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -59.41 -45.47 91.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.558 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -66.26 -40.65 90.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.912 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.6 mt -56.86 -44.67 82.42 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.436 -0.506 . . . . 0.0 110.945 -179.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -66.42 -42.77 87.26 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.363 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.63 -40.98 88.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.642 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.19 -47.79 84.03 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.589 -178.73 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 51.4 tttm -59.75 -41.52 91.16 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.462 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -63.6 -41.44 98.33 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.719 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -62.56 -41.25 98.8 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.817 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 84.8 mt -78.04 -3.29 41.41 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.422 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.486 ' O ' ' CB ' ' A' ' 76' ' ' ASP . . . 50.85 48.77 43.82 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.935 179.236 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.508 ' O ' ' CB ' ' A' ' 77' ' ' ASN . 6.2 m-20 91.7 -100.58 0.0 OUTLIER 'General case' 0 CA--C 1.509 -0.612 0 O-C-N 124.398 0.705 . . . . 0.0 110.051 178.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' A' ' 76' ' ' ASP . 20.7 t-20 90.01 142.33 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.645 0 O-C-N 124.049 0.843 . . . . 0.0 110.019 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -65.33 -43.49 90.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.853 -179.323 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.469 ' HA ' HG13 ' A' ' 85' ' ' VAL . . . -58.69 -28.64 65.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.228 -178.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.551 HD12 ' N ' ' A' ' 80' ' ' ILE . 1.5 mp -93.65 -50.38 12.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.908 0.385 . . . . 0.0 111.121 -179.748 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 23.6 p -61.85 -50.1 73.6 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.005 -178.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -108.93 108.67 19.51 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.535 0.683 . . . . 0.0 110.491 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -60.85 -20.54 61.98 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.399 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 25.6 mm -54.85 -54.26 25.1 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.394 -178.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.469 HG13 ' HA ' ' A' ' 79' ' ' ALA . 2.3 p -71.05 -31.16 44.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.347 -0.388 . . . . 0.0 109.954 178.268 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.1 -43.52 96.97 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -68.74 -51.62 39.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.368 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.481 ' O ' ' ND2' ' A' ' 92' ' ' ASN . . . -53.99 -36.32 62.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.219 -179.472 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -66.26 -47.96 72.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.011 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.47 -44.44 97.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.931 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 73.2 tt0 -66.12 -49.67 66.7 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.732 -178.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 88' ' ' ALA . 3.8 m-80 -62.45 -42.26 99.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.674 -179.526 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -62.87 -45.78 90.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.346 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.99 -40.36 97.53 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.694 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 63.5 mt -62.82 -41.78 99.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.739 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -62.4 -44.48 96.34 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.307 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 37.4 tpp -67.6 -47.68 69.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.847 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.519 ' CG ' ' NE2' ' A' ' 141' ' ' HIS . 88.3 t80 -57.84 -51.39 69.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.343 -179.212 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 92.9 mt -61.59 -41.5 97.52 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.649 -179.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -50.96 -47.02 61.3 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.88 -39.24 79.9 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.938 0.399 . . . . 0.0 110.497 178.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -62.19 -42.16 99.02 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.159 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -63.72 -41.93 97.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.448 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -65.58 -34.9 79.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.116 -179.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -62.16 -46.88 87.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.619 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.78 -36.74 79.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.011 0.434 . . . . 0.0 110.522 179.363 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.06 -13.81 40.55 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.566 -0.454 . . . . 0.0 110.08 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 83.52 33.11 23.19 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -115.39 102.73 10.1 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.672 0.272 . . . . 0.0 110.341 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -103.54 133.37 48.68 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.856 0.36 . . . . 0.0 110.261 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.413 ' ND1' ' N ' ' A' ' 111' ' ' HIS . 0.1 OUTLIER -168.92 177.6 4.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.144 0.497 . . . . 0.0 110.596 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 32.9 mtmm -67.83 -16.47 64.12 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.815 179.174 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -62.6 -59.16 5.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.245 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 2.4 ppp? -61.77 -34.08 75.23 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.423 HD11 HG22 ' A' ' 152' ' ' ILE . 58.4 mt -60.54 -48.74 87.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 119.952 -0.699 . . . . 0.0 109.942 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -61.34 -35.29 77.01 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.331 -178.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 72.7 m -59.51 -47.79 84.14 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.055 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -61.44 -44.84 96.41 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.756 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -60.03 -53.72 54.46 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.087 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 15.0 m -55.75 -40.91 73.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.07 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -57.88 -41.81 83.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.645 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 56.4 p -60.45 -42.98 97.27 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 121.205 0.526 . . . . 0.0 110.969 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.1 mp -61.62 -39.48 91.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.211 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 91.4 mt -62.39 -37.12 84.51 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.395 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.467 ' O ' HG23 ' A' ' 129' ' ' THR . 86.4 mt -61.36 -43.49 96.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.472 ' O ' ' OG1' ' A' ' 129' ' ' THR . 2.4 m-20 -58.53 -41.97 86.72 Favored 'General case' 0 C--O 1.242 0.667 0 CA-C-O 121.305 0.574 . . . . 0.0 109.871 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.694 ' O ' HG22 ' A' ' 130' ' ' VAL . 60.2 t -59.17 -35.09 55.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.683 179.051 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 93.6 mt -71.25 -44.67 73.05 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.592 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.411 178.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.881 HG22 HD13 ' A' ' 134' ' ' LEU . 68.2 p -50.43 -36.99 35.66 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.578 -177.261 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.694 HG22 ' O ' ' A' ' 127' ' ' VAL . 2.1 m -48.89 -22.25 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 C-N-CA 120.445 -0.502 . . . . 0.0 111.181 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -60.38 -25.81 66.18 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.142 -178.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 90.8 12.64 60.39 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -112.43 -92.94 0.47 Allowed 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 120.866 0.365 . . . . 0.0 110.261 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.881 HD13 HG22 ' A' ' 129' ' ' THR . 13.1 tp 66.87 103.08 0.05 OUTLIER 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.138 179.378 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.19 165.67 14.31 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 179.381 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -53.13 -38.36 62.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.763 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -53.13 -49.58 66.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.788 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -62.47 -39.31 93.02 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.725 0.298 . . . . 0.0 110.765 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 49.1 t -61.0 -44.46 98.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -179.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -63.81 -36.63 84.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.72 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.519 ' NE2' ' CG ' ' A' ' 98' ' ' PHE . 22.1 t-160 -59.83 -45.58 91.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.598 -179.583 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 30.7 ttp180 -64.11 -42.27 96.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.533 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -56.46 -40.21 74.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.041 0.448 . . . . 0.0 110.544 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -75.4 -34.76 61.09 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.499 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -63.04 -46.17 88.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.173 -179.076 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.643 ' O ' HG23 ' A' ' 150' ' ' THR . 50.1 ptt85 -70.33 -40.92 73.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.589 -179.687 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' TRP . . . . . 0.403 ' N ' ' HG3' ' A' ' 146' ' ' ARG . 9.4 t90 -59.95 -52.42 65.46 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 120.991 0.424 . . . . 0.0 110.562 -179.425 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 8.2 tptp -59.43 -56.63 19.6 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.244 -178.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -47.4 -45.57 25.47 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.949 0.404 . . . . 0.0 111.248 -179.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' THR . . . . . 0.643 HG23 ' O ' ' A' ' 146' ' ' ARG . 75.2 p -66.97 -43.99 81.63 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.393 -179.525 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 151' ' ' TYR . . . . . 0.489 ' O ' ' SG ' ' A' ' 155' ' ' CYS . 51.8 t80 -55.46 -44.81 76.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.57 -178.626 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 152' ' ' ILE . . . . . 0.423 HG22 HD11 ' A' ' 115' ' ' ILE . 38.6 mm -64.38 -43.98 97.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.641 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 153' ' ' HIS . . . . . 0.517 ' CE1' ' HE3' ' A' ' 157' ' ' LYS . 4.7 t-160 -64.92 -44.86 88.14 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.806 -178.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -65.08 -40.14 94.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.943 0.402 . . . . 0.0 111.014 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' CYS . . . . . 0.489 ' SG ' ' O ' ' A' ' 151' ' ' TYR . 91.8 m -64.75 -40.4 95.24 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.351 -179.114 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.682 ' C ' HD23 ' A' ' 156' ' ' LEU . 7.8 tt -61.81 -44.09 97.55 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.579 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.517 ' HE3' ' CE1' ' A' ' 153' ' ' HIS . 91.4 mttt -61.45 -40.5 94.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.099 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -79.98 -22.87 42.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.821 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 75.5 49.62 9.0 Favored Glycine 0 CA--C 1.529 0.92 0 N-CA-C 110.639 -0.984 . . . . 0.0 110.639 -179.176 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -121.19 135.38 55.16 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.952 0.406 . . . . 0.0 110.981 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 18.7 m -64.33 115.98 24.3 Favored Pre-proline 0 CA--C 1.535 0.404 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.604 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -75.94 147.7 30.86 Favored 'Trans proline' 0 N--CA 1.493 1.459 0 C-N-CA 122.287 1.992 . . . . 0.0 112.161 -179.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 . . . . . 0 C--N 1.331 -0.204 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.245 179.657 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.398 0 N-CA-C 110.37 -1.092 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 1.1 p -132.64 152.76 80.52 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 120.723 0.297 . . . . 0.0 110.407 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -67.22 -179.22 1.71 Allowed 'Trans proline' 0 N--CA 1.494 1.5 0 C-N-CA 122.801 2.334 . . . . 0.0 111.817 179.241 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 157' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -80.26 96.08 6.5 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 20.5 mt -104.6 126.45 51.7 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.726 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 159' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' B' ' 160' ' ' GLU . 65.0 t0 -86.37 132.13 34.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.122 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 160' ' ' GLU . . . . . 0.433 ' N ' ' OD1' ' B' ' 159' ' ' ASP . 14.2 pt-20 -59.51 -35.85 74.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.011 -179.524 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 161' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -64.28 -57.11 10.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.395 0.617 . . . . 0.0 110.651 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 162' ' ' ASP . . . . . 0.419 ' O ' ' CG ' ' B' ' 166' ' ' GLU . 98.5 m-20 -63.18 -41.27 99.19 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.264 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 163' ' ' LEU . . . . . 0.414 HD21 ' NH1' ' A' ' 146' ' ' ARG . 47.0 tp -52.4 -44.98 65.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.862 -179.17 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 71.0 tt0 -69.41 -33.42 72.97 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.549 -179.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 165' ' ' ALA . . . . . . . . . . . . . . . -62.27 -45.89 91.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.241 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 166' ' ' GLU . . . . . 0.419 ' CG ' ' O ' ' B' ' 162' ' ' ASP . 0.0 OUTLIER -66.88 -47.82 70.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.439 -179.445 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 167' ' ' LEU . . . . . 0.409 HD22 HG22 ' A' ' 150' ' ' THR . 0.1 OUTLIER -57.34 -48.3 79.35 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.206 -0.597 . . . . 0.0 110.313 -178.258 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 168' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -55.79 -47.67 76.68 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.282 -178.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -57.87 -46.07 85.4 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 38.2 tp -60.86 -43.94 97.69 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -49.08 -43.33 32.08 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.392 -1.083 . . . . 0.0 110.392 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 172' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -61.48 -48.71 79.86 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 121.608 0.718 . . . . 0.0 110.326 179.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -58.6 -42.76 88.87 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.749 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -68.5 -32.38 72.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.307 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 3.2 tp -56.05 -41.08 74.48 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 176' ' ' ALA . . . . . 0.56 ' O ' ' O ' ' B' ' 177' ' ' ASP . . . -60.67 -34.29 74.09 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.169 -0.613 . . . . 0.0 110.818 179.603 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 177' ' ' ASP . . . . . 0.56 ' O ' ' O ' ' B' ' 176' ' ' ALA . 4.1 t70 49.01 120.82 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.3 0.571 . . . . 0.0 111.172 179.409 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 178' ' ' GLU . . . . . 0.484 ' CD ' ' N ' ' B' ' 178' ' ' GLU . 1.6 pm0 -135.63 28.47 3.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.529 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 179' ' ' ASP . . . . . 0.57 ' HB2' HD11 ' B' ' 183' ' ' LEU . 29.1 p-10 -43.69 168.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.682 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 180' ' ' SER . . . . . . . . . . . . . 6.6 t -170.1 -142.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.259 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 17.3 p -61.18 -18.76 59.85 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.185 0.517 . . . . 0.0 110.303 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 182' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -52.86 -35.03 57.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.649 179.428 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 183' ' ' LEU . . . . . 0.57 HD11 ' HB2' ' B' ' 179' ' ' ASP . 25.5 mt -59.63 -43.17 93.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.972 -177.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 184' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -66.26 -32.26 73.58 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.43 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 185' ' ' GLU . . . . . 0.418 ' O ' ' HB2' ' B' ' 189' ' ' ALA . 0.2 OUTLIER -60.6 -52.66 64.21 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 121.036 0.445 . . . . 0.0 110.406 -179.595 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 186' ' ' ALA . . . . . . . . . . . . . . . -64.51 -36.89 85.67 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.986 -179.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 187' ' ' ALA . . . . . . . . . . . . . . . -75.33 -39.1 59.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.344 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 188' ' ' SER . . . . . . . . . . . . . 31.0 m -101.65 18.79 19.45 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.434 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 189' ' ' ALA . . . . . 0.418 ' HB2' ' O ' ' B' ' 185' ' ' GLU . . . . . . . . 0 CA--C 1.539 0.546 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.123 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.6 ttm . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.538 ' O ' ' NE2' ' A' ' 73' ' ' GLN . . . -154.71 155.64 34.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.508 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -100.83 140.2 35.44 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.467 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.453 HD11 HD23 ' A' ' 70' ' ' LEU . 81.2 mt -76.97 148.7 36.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.486 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.2 152.03 78.83 Favored Pre-proline 0 CA--C 1.538 0.488 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.373 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -65.94 146.98 84.25 Favored 'Trans proline' 0 N--CA 1.497 1.694 0 C-N-CA 122.517 2.144 . . . . 0.0 111.543 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 64.7 mt -99.63 145.04 29.43 Favored Pre-proline 0 CA--C 1.537 0.456 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.726 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -65.44 169.14 13.08 Favored 'Trans proline' 0 N--CA 1.499 1.799 0 C-N-CA 122.742 2.295 . . . . 0.0 112.472 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -45.11 140.54 7.4 Favored 'Trans proline' 0 N--CA 1.491 1.344 0 C-N-CA 122.081 1.854 . . . . 0.0 111.43 179.177 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 tt -95.29 114.26 63.4 Favored Pre-proline 0 CA--C 1.537 0.479 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.23 -179.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -74.14 150.26 42.37 Favored 'Trans proline' 0 N--CA 1.495 1.611 0 C-N-CA 121.75 1.634 . . . . 0.0 112.105 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.35 -20.22 1.64 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.251 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -53.41 -35.52 60.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.688 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -109.88 36.14 3.11 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.03 0.443 . . . . 0.0 110.994 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 56.5 tttp -68.84 -30.66 69.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.995 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.2 m -65.88 -48.39 71.67 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.688 -179.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 42.5 pt -81.48 -13.91 12.53 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 CA-C-O 121.092 0.473 . . . . 0.0 110.578 -179.024 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.402 ' OE1' ' N ' ' A' ' 19' ' ' HIS . 6.4 tm0? -51.23 -41.24 60.17 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.747 -178.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.402 ' N ' ' OE1' ' A' ' 18' ' ' GLN . 2.6 m-70 -56.43 -39.13 72.57 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.729 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.619 ' ND1' ' SG ' ' A' ' 38' ' ' CYS . 0.2 OUTLIER -68.74 -37.52 79.48 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.649 179.455 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.6 mt -61.9 -43.9 97.9 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.566 -0.453 . . . . 0.0 111.006 -178.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.451 ' HE ' ' N ' ' A' ' 22' ' ' ARG . 1.6 mmp_? -66.22 -42.11 89.14 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-O 121.427 0.632 . . . . 0.0 110.142 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 33.1 m -62.44 -43.39 98.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.897 179.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 28' ' ' ASP . . . -60.78 -48.79 80.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.616 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -50.08 -46.13 53.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.685 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -70.14 -52.17 25.64 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.636 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.532 ' O ' ' N ' ' A' ' 31' ' ' ASP . 3.5 m80 -61.01 -24.84 66.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.079 -179.549 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 24' ' ' ALA . 33.7 t0 -61.31 -41.19 96.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.78 0.324 . . . . 0.0 110.242 179.449 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.2 tptt -65.54 -44.55 86.52 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.229 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -84.17 -64.43 1.16 Allowed 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.304 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' A' ' 27' ' ' HIS . 5.5 m-20 -113.63 102.79 55.18 Favored Pre-proline 0 CA--C 1.54 0.591 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.88 -179.185 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -70.62 -28.14 21.5 Favored 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 121.739 1.626 . . . . 0.0 112.216 -178.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 57.3 t -62.81 -46.91 95.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.698 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 60.5 t -64.22 -45.38 96.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.23 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.28 -36.85 85.03 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.444 -0.503 . . . . 0.0 110.789 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -57.77 -55.3 36.67 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.062 0.458 . . . . 0.0 110.915 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -63.19 -31.17 72.25 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.72 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.619 ' SG ' ' ND1' ' A' ' 20' ' ' HIS . 7.3 t -60.58 -49.42 77.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.268 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.403 ' HD3' HH11 ' A' ' 39' ' ' ARG . 4.3 mpt_? -60.87 -39.54 89.55 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 tt -57.11 -45.78 83.17 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 119.952 -0.699 . . . . 0.0 110.079 -179.104 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.402 ' CE1' ' OG1' ' A' ' 45' ' ' THR . 10.3 t80 -56.53 -47.82 78.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.967 0.413 . . . . 0.0 110.491 179.237 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.25 -51.88 67.57 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.933 -178.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.456 ' C ' ' SD ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -51.0 -63.72 1.04 Allowed 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 120.79 0.328 . . . . 0.0 111.351 -179.365 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.405 ' HG3' ' N ' ' A' ' 45' ' ' THR . 3.8 pt20 -57.7 -37.75 74.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.835 -179.441 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.405 ' N ' ' HG3' ' A' ' 44' ' ' GLN . 91.2 m -69.16 -42.65 75.62 Favored 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 120.302 -0.559 . . . . 0.0 111.232 -179.175 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.06 -36.16 91.89 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.548 ' HG2' ' N ' ' A' ' 48' ' ' LYS . 2.2 ptm -66.16 -43.12 87.86 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-O 120.921 0.391 . . . . 0.0 110.221 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.548 ' N ' ' HG2' ' A' ' 47' ' ' MET . 95.9 mttt -64.2 -42.97 96.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.247 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 72.2 mt -64.83 -50.06 77.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 120.436 -0.506 . . . . 0.0 111.573 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 47' ' ' MET . 1.9 m-20 -94.69 -178.09 4.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.372 -179.541 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 57.7 m -166.31 -46.05 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.885 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -122.91 98.47 5.92 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -171.83 128.57 0.64 Allowed Pre-proline 0 C--N 1.324 -0.538 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.518 178.677 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -69.99 -33.94 14.75 Favored 'Trans proline' 0 N--CA 1.495 1.578 0 C-N-CA 121.698 1.599 . . . . 0.0 112.051 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.5 -46.12 84.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.043 0.449 . . . . 0.0 110.055 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 76.7 m -67.61 -37.54 82.67 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.193 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -59.09 -46.81 87.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.609 -179.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.5 ttpt -71.81 -39.73 69.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.262 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -58.46 -44.84 89.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.128 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 22.7 mt -64.06 -42.32 97.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.81 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.7 t -59.5 -43.89 93.25 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.697 -179.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.26 -43.66 97.35 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.425 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.5 tp -61.84 -38.97 90.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.027 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 43.1 ttp -58.74 -44.73 90.58 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -61.33 -38.43 86.84 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.264 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -65.93 -40.39 91.38 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.474 -0.49 . . . . 0.0 111.034 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.2 mt -58.87 -58.46 8.51 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.632 0.253 . . . . 0.0 111.37 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -62.44 -37.16 84.81 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.077 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.95 -49.15 77.78 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.459 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.575 HD13 ' O ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -60.13 -47.78 84.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.226 -178.79 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -57.59 -32.13 66.87 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.45 -0.5 . . . . 0.0 109.809 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.3 tptt -63.09 -44.36 95.93 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.701 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.538 ' NE2' ' O ' ' A' ' 2' ' ' ALA . 26.6 mt-30 -61.99 -45.21 94.6 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.985 0.421 . . . . 0.0 110.723 -179.108 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.518 ' O ' ' N ' ' A' ' 76' ' ' ASP . 45.2 mt -65.38 -29.75 70.5 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.272 -179.483 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 49.2 -84.2 0.01 OUTLIER Glycine 0 CA--C 1.524 0.653 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.065 179.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 74' ' ' LEU . 85.6 m-20 -94.95 81.15 3.7 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -178.195 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.426 HD22 HD13 ' A' ' 74' ' ' LEU . 60.5 t-20 -134.11 121.19 21.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.211 0.529 . . . . 0.0 110.795 179.165 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.481 ' C ' ' H ' ' A' ' 80' ' ' ILE . 21.9 mt-10 -71.77 -37.33 70.5 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.742 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.48 4.64 0.23 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.178 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.481 ' H ' ' C ' ' A' ' 78' ' ' GLU . 10.0 mm -134.3 -48.39 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 40.6 p -65.42 -41.82 93.17 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.467 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -109.28 109.1 19.92 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.322 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -21.33 57.02 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.63 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 58.3 mt -56.06 -56.05 15.05 Favored 'Isoleucine or valine' 0 C--O 1.238 0.493 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.227 -178.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.449 ' H ' HG12 ' A' ' 85' ' ' VAL . 1.6 p -73.94 -34.26 38.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.072 179.026 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.53 ' O ' ' ND1' ' A' ' 89' ' ' HIS . . . -57.52 -44.95 93.6 Favored Glycine 0 CA--C 1.52 0.375 0 N-CA-C 110.454 -1.059 . . . . 0.0 110.454 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 12.6 t -66.71 -48.37 69.44 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.579 179.287 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.71 -44.94 82.06 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.938 -179.377 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.53 ' ND1' ' O ' ' A' ' 86' ' ' GLY . 0.0 OUTLIER -59.56 -43.0 93.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.255 179.874 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.504 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -61.85 -45.14 95.08 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.413 -178.587 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -66.93 -41.5 86.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -63.78 -47.31 81.42 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 121.029 -0.268 . . . . 0.0 111.254 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -64.15 -45.12 89.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.896 0.379 . . . . 0.0 110.702 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.98 -41.94 90.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 29.8 tp -62.89 -45.0 94.6 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.271 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -61.53 -40.06 93.31 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.659 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 29.7 tpp -63.67 -50.05 70.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.975 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -59.63 -47.52 85.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -178.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -59.44 -40.94 88.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.499 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -59.08 -47.51 85.0 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.199 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.438 ' HB1' ' CZ ' ' A' ' 118' ' ' PHE . . . -68.86 -44.44 73.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.022 0.439 . . . . 0.0 110.941 179.625 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -62.25 -40.09 95.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.368 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -63.25 -41.22 99.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.729 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -62.42 -37.98 87.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.461 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -62.17 -47.98 82.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.95 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 56.3 ttp180 -63.44 -40.82 98.17 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.429 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.38 -6.11 3.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.714 -179.105 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 75.19 30.08 59.41 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 179.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.569 ' O ' ' SD ' ' A' ' 114' ' ' MET . 0.9 OUTLIER -106.67 111.51 24.09 Favored 'General case' 0 C--O 1.222 -0.391 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.751 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -100.32 135.07 42.32 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.25 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -164.79 149.99 9.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.14 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 46.6 pttt -59.76 -34.73 73.36 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 120.961 0.41 . . . . 0.0 110.978 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -55.44 -35.63 65.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.158 -179.635 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.569 ' SD ' ' O ' ' A' ' 109' ' ' ARG . 71.0 mtp -62.28 -42.05 99.02 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.791 -179.56 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 81.1 mt -60.96 -48.47 88.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.063 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -64.16 -34.91 79.15 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.261 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 6.5 t -61.05 -45.91 92.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.91 -179.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.438 ' CZ ' ' HB1' ' A' ' 101' ' ' ALA . 56.3 m-85 -64.28 -40.76 96.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.588 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -60.54 -50.24 74.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.024 0.44 . . . . 0.0 110.187 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 18.8 m -57.9 -41.59 82.91 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.292 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.412 ' O ' HG12 ' A' ' 125' ' ' ILE . . . -57.08 -45.07 83.63 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.123 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 39.1 p -60.26 -42.13 94.7 Favored 'General case' 0 C--O 1.244 0.808 0 CA-C-O 121.278 0.561 . . . . 0.0 111.645 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 62.9 mt -59.98 -39.88 87.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.729 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 97.8 mt -62.13 -41.22 98.05 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.104 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.505 HG21 ' HB3' ' A' ' 142' ' ' ARG . 28.5 mm -55.38 -44.71 76.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.067 -0.653 . . . . 0.0 109.359 -179.308 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -58.44 -43.32 88.72 Favored 'General case' 0 C--O 1.25 1.119 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.191 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.59 ' O ' HG22 ' A' ' 130' ' ' VAL . 67.5 t -58.19 -28.77 35.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.617 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.481 HD11 HD12 ' A' ' 90' ' ' LEU . 70.5 mt -77.23 -44.16 30.89 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.16 0 CA-C-O 121.06 0.457 . . . . 0.0 110.539 178.326 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.498 HG22 HD22 ' A' ' 134' ' ' LEU . 82.6 p -49.89 -34.03 19.0 Favored 'General case' 0 CA--C 1.516 -0.361 0 C-N-CA 120.201 -0.6 . . . . 0.0 110.429 -178.191 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.59 HG22 ' O ' ' A' ' 127' ' ' VAL . 5.4 m -41.41 -32.93 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 C-N-CA 120.155 -0.618 . . . . 0.0 111.122 179.241 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -63.01 -41.5 99.59 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.271 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 129' ' ' THR . . . 104.15 -32.75 7.2 Favored Glycine 0 N--CA 1.465 0.581 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -85.45 66.43 9.68 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.77 0.319 . . . . 0.0 110.155 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.498 HD22 HG22 ' A' ' 129' ' ' THR . 21.2 tp -86.4 122.18 30.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.261 -179.338 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.429 ' H ' HG22 ' A' ' 135' ' ' THR . 1.2 t -86.99 157.82 19.38 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.129 0.49 . . . . 0.0 111.0 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -56.63 -34.57 67.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.393 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 -48.23 -48.84 34.87 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.679 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -66.52 -39.4 88.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.423 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 58.1 t -59.98 -44.43 94.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.384 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.18 -41.0 70.89 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.584 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 3.4 m170 -66.82 -48.86 67.62 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.638 -178.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' ARG . . . . . 0.505 ' HB3' HG21 ' A' ' 125' ' ' ILE . 5.5 ppt_? -62.51 -38.06 88.46 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.345 -179.034 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -64.3 -40.19 95.43 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.94 0.4 . . . . 0.0 110.815 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -73.69 -40.13 63.86 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.688 -179.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -62.23 -42.21 99.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.32 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.433 HH11 HH11 ' A' ' 142' ' ' ARG . 61.1 mtp180 -66.69 -40.88 88.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.451 179.526 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 22.7 t90 -62.48 -49.93 73.44 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.789 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 4.9 mmtm -63.35 -39.84 95.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.102 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -55.83 -53.13 60.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.603 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 62.0 p -71.8 -38.8 70.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.584 -179.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' TYR . . . . . 0.497 ' O ' ' SG ' ' A' ' 155' ' ' CYS . 62.3 t80 -51.07 -53.58 32.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.94 -178.554 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 57.9 mt -70.13 -45.39 76.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.52 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' HIS . . . . . 0.669 ' ND1' ' N ' ' A' ' 154' ' ' ASN . 0.0 OUTLIER -57.85 -57.18 13.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.801 -179.496 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 154' ' ' ASN . . . . . 0.669 ' N ' ' ND1' ' A' ' 153' ' ' HIS . 30.0 t-20 -59.78 -39.97 86.71 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.103 -178.489 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 155' ' ' CYS . . . . . 0.497 ' SG ' ' O ' ' A' ' 151' ' ' TYR . 56.3 m -58.06 -36.33 72.64 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 119.654 -0.818 . . . . 0.0 109.264 179.4 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.663 ' O ' HD13 ' A' ' 156' ' ' LEU . 2.7 tm? -64.61 -42.6 95.43 Favored 'General case' 0 N--CA 1.436 -1.169 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.709 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.407 ' H ' ' HG2' ' A' ' 157' ' ' LYS . 53.7 mmtt -63.92 -41.86 97.54 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.398 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -73.5 -15.91 61.3 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.58 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 81.1 45.73 7.41 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.56 -1.016 . . . . 0.0 110.56 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -120.13 142.64 48.74 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.725 0.297 . . . . 0.0 110.39 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 28.5 m -84.22 116.64 65.88 Favored Pre-proline 0 CA--C 1.544 0.74 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.925 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -54.43 153.28 23.29 Favored 'Trans proline' 0 N--CA 1.503 2.043 0 C-N-CA 121.909 1.739 . . . . 0.0 112.615 179.102 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 . . . . . 0 N--CA 1.464 0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.383 179.614 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.604 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.42 162.25 50.55 Favored Pre-proline 0 CA--C 1.535 0.386 0 CA-C-O 120.672 0.272 . . . . 0.0 110.481 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -66.73 -159.64 0.04 OUTLIER 'Trans proline' 0 N--CA 1.494 1.512 0 C-N-CA 122.439 2.092 . . . . 0.0 111.593 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 157' ' ' GLU . . . . . 0.54 ' CD ' ' H ' ' B' ' 157' ' ' GLU . 2.1 pm0 -102.3 115.09 29.84 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 158' ' ' LEU . . . . . 0.543 ' H ' HD12 ' B' ' 158' ' ' LEU . 0.0 OUTLIER -121.46 140.54 52.04 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 -179.257 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -79.64 144.14 34.04 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.076 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 160' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.14 -39.11 88.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.838 0.352 . . . . 0.0 110.97 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 161' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -64.45 -48.62 74.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.032 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 162' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -61.19 -37.12 81.8 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.596 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 12.2 mt -60.01 -43.25 95.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.245 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -63.98 -36.42 83.92 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.32 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 165' ' ' ALA . . . . . . . . . . . . . . . -59.01 -48.73 80.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.29 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.62 -43.86 83.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.818 -178.68 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.46 -54.05 50.16 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.892 -178.349 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 168' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -52.16 -47.58 65.38 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.196 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -61.84 -47.52 84.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.401 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 7.5 tt -56.66 -44.77 81.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.35 -178.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -59.98 -41.01 97.7 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 172' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -59.72 -43.76 94.01 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.489 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -63.19 -48.61 77.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.325 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 10.4 mp -64.51 -35.76 82.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.261 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 5.2 tp -59.5 -46.0 90.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.099 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -66.67 -36.7 83.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.544 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 177' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -64.56 145.87 55.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.315 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 178' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -123.7 27.69 7.23 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.947 0.403 . . . . 0.0 110.242 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 179' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -65.03 151.49 45.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.423 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 180' ' ' SER . . . . . . . . . . . . . 63.2 m -149.82 -16.51 0.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.981 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 20.4 t -63.02 -19.68 64.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.133 0.492 . . . . 0.0 110.313 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 182' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -56.51 -32.96 65.57 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.9 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 183' ' ' LEU . . . . . . . . . . . . . 89.7 mt -60.62 -43.48 97.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.399 -178.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 184' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -67.55 -33.79 75.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.092 0.473 . . . . 0.0 110.485 178.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -62.58 -55.64 25.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.549 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 186' ' ' ALA . . . . . . . . . . . . . . . -59.89 -38.27 81.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.107 0.479 . . . . 0.0 110.412 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 187' ' ' ALA . . . . . . . . . . . . . . . -73.23 -15.8 61.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.481 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 188' ' ' SER . . . . . . . . . . . . . 9.7 p -63.52 -17.59 62.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.115 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 189' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.465 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.114 -179.324 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mtt . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -130.34 138.67 50.54 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.199 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -107.45 123.2 48.05 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.39 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.578 HD12 ' N ' ' A' ' 4' ' ' LEU . 9.4 mp -69.32 168.99 13.13 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.671 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.94 154.48 68.05 Favored Pre-proline 0 N--CA 1.446 -0.658 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.148 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_exo -61.36 148.37 93.11 Favored 'Trans proline' 0 N--CA 1.501 1.922 0 C-N-CA 122.566 2.177 . . . . 0.0 112.199 179.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.2 mt -79.43 151.15 74.58 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.922 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo -56.54 167.38 2.84 Favored 'Trans proline' 0 N--CA 1.497 1.729 0 C-N-CA 122.586 2.191 . . . . 0.0 111.982 179.286 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -36.24 143.67 0.1 Allowed 'Trans proline' 0 C--N 1.313 -1.309 0 C-N-CA 122.912 2.408 . . . . 0.0 111.582 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.5 tp -102.95 106.82 52.57 Favored Pre-proline 0 CA--C 1.541 0.6 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.918 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -48.92 165.54 0.18 Allowed 'Trans proline' 0 N--CA 1.491 1.355 0 C-N-CA 122.335 2.024 . . . . 0.0 112.216 178.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.24 -41.39 61.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.783 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.41 -12.58 0.72 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.858 -179.299 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.461 ' HB3' HD11 ' A' ' 17' ' ' ILE . 34.7 m-85 -109.83 24.33 13.19 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.35 0.595 . . . . 0.0 110.727 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.92 -32.78 74.66 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.42 178.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.8 p -64.15 -48.05 77.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.833 0.349 . . . . 0.0 111.791 -179.169 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.461 HD11 ' HB3' ' A' ' 14' ' ' PHE . 44.8 pt -76.4 -16.23 15.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.521 -179.271 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -45.34 -46.39 12.98 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.528 -179.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -59.4 -43.35 92.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.971 0.415 . . . . 0.0 110.887 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 75.8 m80 -62.5 -41.61 98.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.925 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.0 mt -62.79 -47.57 82.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.806 0.336 . . . . 0.0 111.301 -178.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 50.0 mmm-85 -67.65 -37.33 82.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.859 0.361 . . . . 0.0 110.264 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 63.2 m -61.4 -43.95 97.99 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.182 179.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.531 ' O ' ' N ' ' A' ' 28' ' ' ASP . . . -66.86 -41.19 87.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.577 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -52.09 -46.78 65.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.496 -179.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -67.84 -46.01 73.01 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.642 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.558 ' O ' ' N ' ' A' ' 31' ' ' ASP . 0.8 OUTLIER -69.74 -22.95 63.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.544 179.81 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.531 ' N ' ' O ' ' A' ' 24' ' ' ALA . 55.2 t0 -58.95 -47.53 84.75 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.588 -179.436 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -63.5 -46.24 87.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.03 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 56.2 ttt85 -83.35 -62.3 1.62 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.903 0.382 . . . . 0.0 111.205 -179.562 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.558 ' N ' ' O ' ' A' ' 27' ' ' HIS . 28.7 m-20 -107.98 94.61 13.06 Favored Pre-proline 0 CA--C 1.54 0.566 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.18 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -69.21 -31.41 23.02 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 122.117 1.878 . . . . 0.0 111.978 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 69.3 t -65.49 -46.83 88.76 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.07 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 85.1 t -62.28 -43.98 98.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.949 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.49 -40.28 94.01 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.557 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -54.48 -50.79 66.93 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -65.76 -40.0 91.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.427 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 10.9 t -58.62 -45.93 88.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.574 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -58.74 -41.96 87.72 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 tp -56.05 -44.27 78.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.087 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -57.73 -46.03 85.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.093 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.49 -53.42 58.27 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.674 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.467 ' SD ' ' SD ' ' A' ' 47' ' ' MET . 10.3 tmm? -52.94 -46.91 68.37 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 120.855 0.36 . . . . 0.0 110.686 -179.175 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -58.51 -44.87 89.66 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.723 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.6 m -74.76 -24.83 58.75 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.761 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -71.54 -52.45 12.66 Favored Glycine 0 CA--C 1.527 0.795 0 C-N-CA 121.064 -0.588 . . . . 0.0 111.819 -179.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.467 ' SD ' ' SD ' ' A' ' 43' ' ' MET . 6.1 ptt? -65.65 -34.36 78.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.689 0.28 . . . . 0.0 110.263 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -61.64 -46.09 91.26 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.608 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 79.6 mt -71.16 -51.59 33.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.005 0.431 . . . . 0.0 111.105 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.79 118.4 5.68 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.024 -178.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.7 m -111.38 -68.84 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.219 179.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.465 ' C ' HG22 ' A' ' 53' ' ' THR . 24.2 mmtp -132.51 101.62 5.4 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.216 0.531 . . . . 0.0 109.971 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.465 HG22 ' C ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -178.93 101.86 0.2 Allowed Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.378 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -52.22 -35.16 62.3 Favored 'Trans proline' 0 N--CA 1.496 1.67 0 C-N-CA 122.443 2.096 . . . . 0.0 112.505 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.413 ' H ' ' HG2' ' A' ' 55' ' ' GLU . 3.2 mm-40 -55.36 -56.97 14.01 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.652 0.739 . . . . 0.0 110.401 -179.029 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 92.8 m -64.64 -28.78 69.85 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.551 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 -58.68 -49.43 77.6 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 121.032 0.444 . . . . 0.0 110.68 -179.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.88 -42.21 88.95 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.048 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -57.17 -45.88 83.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.648 -179.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -61.63 -42.21 98.56 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.642 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 69.8 m -57.75 -42.01 83.11 Favored 'General case' 0 C--N 1.316 -0.884 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.036 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.6 tptt -64.14 -43.4 95.35 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.333 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 45.9 tp -62.79 -41.58 99.33 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.283 -179.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 36.9 ttm -63.67 -39.56 94.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.827 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -62.17 -38.87 90.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.234 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -62.64 -43.4 98.9 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.165 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.4 mt -59.84 -44.25 94.17 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.356 -0.537 . . . . 0.0 110.415 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -64.36 -41.2 96.85 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.37 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.93 -41.84 86.35 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.415 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.558 HD13 ' O ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -61.37 -42.93 99.51 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.223 0.535 . . . . 0.0 110.001 -178.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.96 -45.48 93.46 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.534 0.683 . . . . 0.0 109.786 -179.422 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -61.17 -39.54 90.51 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.609 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -56.48 -50.49 71.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.515 -179.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 72.1 mt -68.7 -30.82 69.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.712 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.425 ' O ' ' OD1' ' A' ' 76' ' ' ASP . . . 88.7 -80.92 1.57 Allowed Glycine 0 CA--C 1.521 0.462 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' A' ' 75' ' ' GLY . 0.8 OUTLIER -150.58 66.71 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.785 -179.699 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 -74.73 136.44 41.77 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -59.51 -40.5 87.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.903 0.382 . . . . 0.0 110.983 -179.249 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.99 -32.66 74.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.324 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 44.5 mm -92.59 -47.17 14.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.843 0.354 . . . . 0.0 111.049 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 40.9 p -62.13 -41.36 98.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.45 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -115.15 113.99 24.7 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-O 121.28 0.562 . . . . 0.0 110.336 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.52 ' O ' ' SG ' ' A' ' 87' ' ' CYS . 18.0 pt-20 -60.73 -31.47 70.77 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.631 -179.699 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 65.6 mt -50.26 -60.56 0.8 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.531 0 CA-C-O 121.03 0.443 . . . . 0.0 111.747 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -68.19 -34.29 65.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -60.36 -37.38 93.03 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 -179.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.604 ' SG ' ' CE1' ' A' ' 131' ' ' PHE . 68.1 m -68.32 -50.23 54.87 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.418 ' O ' ' ND2' ' A' ' 92' ' ' ASN . . . -52.59 -45.36 66.48 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.693 -179.282 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 49.8 t60 -64.29 -46.16 84.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.186 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.61 -42.3 98.69 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.494 -178.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -66.57 -44.79 81.33 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.193 -179.039 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.418 ' ND2' ' O ' ' A' ' 88' ' ' ALA . 2.1 m-80 -62.4 -42.38 99.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.818 -179.388 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -63.77 -44.41 93.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.65 -43.16 99.37 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.796 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.0 tt -65.02 -43.44 92.45 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.39 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -55.84 -42.97 76.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.985 -179.042 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 40.1 tpp -65.37 -47.04 77.78 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.636 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.621 ' CG ' ' NE2' ' A' ' 141' ' ' HIS . 69.9 t80 -64.07 -60.03 3.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.965 -179.354 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.56 -43.13 24.97 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.586 -179.089 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -59.14 -45.94 89.66 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.591 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -70.77 -47.32 60.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.059 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -62.79 -40.39 97.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.86 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -62.56 -44.28 96.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.856 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.76 -39.38 87.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.028 0.442 . . . . 0.0 110.161 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -56.7 -43.87 80.94 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.092 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 57.5 ttp180 -61.99 -43.41 98.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.117 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.06 -4.8 3.8 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.475 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 82.78 22.5 57.85 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -94.33 102.14 14.12 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.867 0.365 . . . . 0.0 110.696 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -106.38 134.87 48.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.202 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -166.36 173.19 10.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.381 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -63.53 -31.09 72.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.242 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -58.33 -34.3 70.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.275 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 3.6 mmm -60.75 -43.57 97.79 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 33.6 mm -62.82 -48.74 86.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.32 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 33.6 mmtt -58.29 -42.74 87.28 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.135 -179.178 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.434 ' OG ' ' N ' ' A' ' 118' ' ' PHE . 54.1 p -58.23 -58.74 7.14 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.561 -0.455 . . . . 0.0 111.418 -178.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.434 ' N ' ' OG ' ' A' ' 117' ' ' SER . 45.9 m-85 -56.75 -43.41 80.72 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.954 -179.164 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -57.7 -55.89 28.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.523 0.677 . . . . 0.0 110.024 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 86.3 m -61.35 -38.97 88.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.207 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -54.66 -46.32 74.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.588 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 82.0 p -61.09 -44.27 97.62 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.068 0.461 . . . . 0.0 110.567 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.569 ' O ' HG13 ' A' ' 127' ' ' VAL . 10.5 mp -62.24 -40.66 96.9 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.003 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.46 ' O ' HG22 ' A' ' 127' ' ' VAL . 52.4 mt -59.74 -40.53 88.38 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-O 121.582 0.706 . . . . 0.0 110.35 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.535 ' O ' HG23 ' A' ' 129' ' ' THR . 3.5 mm -62.16 -41.69 92.27 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.276 0 C-N-CA 120.164 -0.614 . . . . 0.0 110.658 179.378 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.415 ' O ' HG13 ' A' ' 130' ' ' VAL . 96.0 m-20 -58.58 -45.27 89.39 Favored 'General case' 0 C--O 1.243 0.742 0 CA-C-O 121.076 0.465 . . . . 0.0 111.715 -178.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.752 ' O ' HG22 ' A' ' 130' ' ' VAL . 0.7 OUTLIER -63.59 -31.84 54.49 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.698 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.326 179.648 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.409 HD12 ' HA ' ' A' ' 125' ' ' ILE . 76.4 mt -72.21 -47.92 51.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.771 0.796 . . . . 0.0 110.334 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.535 HG23 ' O ' ' A' ' 125' ' ' ILE . 68.9 p -50.31 -38.53 42.03 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.745 -178.114 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.752 HG22 ' O ' ' A' ' 127' ' ' VAL . 2.5 m -44.08 -15.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 C-N-CA 119.919 -0.712 . . . . 0.0 111.464 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.604 ' CE1' ' SG ' ' A' ' 87' ' ' CYS . 13.2 m-85 -62.83 -9.73 10.6 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.137 -178.363 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 111.06 -68.6 0.22 Allowed Glycine 0 CA--C 1.519 0.313 0 N-CA-C 111.609 -0.597 . . . . 0.0 111.609 179.332 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.525 ' OE1' ' N ' ' A' ' 133' ' ' GLU . 56.4 mp0 -123.08 127.9 49.38 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-O 120.978 0.418 . . . . 0.0 111.026 -178.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 12.2 tp -125.18 158.67 33.4 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.322 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.403 ' H ' HG22 ' A' ' 135' ' ' THR . 3.0 t -76.7 150.04 36.35 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.452 0.644 . . . . 0.0 110.613 179.489 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -60.24 -35.4 75.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.346 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -46.87 -42.0 16.7 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.488 0.661 . . . . 0.0 109.952 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -73.3 -35.56 66.14 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.744 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 40.7 t -57.56 -55.75 19.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.299 -178.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -62.32 -37.31 85.11 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.454 -0.498 . . . . 0.0 109.834 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.621 ' NE2' ' CG ' ' A' ' 98' ' ' PHE . 52.2 t-80 -54.48 -45.99 73.31 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' ARG . . . . . 0.498 ' NH1' ' CZ ' ' A' ' 146' ' ' ARG . 78.6 ttt-85 -60.5 -44.04 96.4 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.329 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -61.53 -38.48 87.56 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.392 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' TYR . . . . . 0.401 ' HD1' ' N ' ' A' ' 144' ' ' TYR . 2.7 m-85 -72.49 -41.72 65.66 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.694 -179.177 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -59.56 -44.87 93.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.756 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.498 ' CZ ' ' NH1' ' A' ' 142' ' ' ARG . 77.8 mtm180 -66.01 -43.74 86.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.74 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -59.89 -47.42 85.84 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.354 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -60.57 -41.52 94.77 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.522 -178.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.56 -47.07 87.0 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.131 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 59.1 p -71.71 -43.72 65.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.49 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -53.99 -51.19 64.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.765 -178.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 52.3 mt -64.33 -45.16 96.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.278 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' HIS . . . . . 0.425 ' CE1' ' HE2' ' A' ' 157' ' ' LYS . 10.9 t-80 -60.25 -45.82 91.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.267 -179.326 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -66.68 -36.62 82.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.834 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.87 -63.26 1.21 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.085 -179.084 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.569 HD12 ' N ' ' A' ' 157' ' ' LYS . 4.5 pp -61.14 -29.84 70.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.074 -179.503 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.569 ' N ' HD12 ' A' ' 156' ' ' LEU . 8.7 ttmt -59.55 -42.22 91.9 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.432 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -82.01 -12.02 58.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.11 -179.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 85.46 43.82 6.4 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -117.59 141.04 48.84 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.079 0.466 . . . . 0.0 110.988 -179.426 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 1.5 m -66.65 128.7 93.98 Favored Pre-proline 0 CA--C 1.54 0.575 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.176 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -63.32 137.92 63.31 Favored 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 121.826 1.684 . . . . 0.0 112.108 178.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.273 179.428 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 0.144 0 N-CA-C 110.296 -1.121 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 2.6 m -126.21 130.54 23.92 Favored Pre-proline 0 N--CA 1.467 0.419 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -61.89 124.1 13.86 Favored 'Trans proline' 0 N--CA 1.493 1.493 0 C-N-CA 122.48 2.12 . . . . 0.0 112.669 -178.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 157' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -59.78 142.48 53.22 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.989 0.423 . . . . 0.0 110.514 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -135.16 153.09 52.09 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.997 -178.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -76.36 123.25 25.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.023 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 160' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -58.04 -39.48 78.5 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.583 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 161' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -62.57 -48.04 81.19 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.137 0.494 . . . . 0.0 110.412 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 162' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -65.8 -38.31 88.62 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.293 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 13.0 tp -57.35 -47.05 82.6 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.347 -178.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -64.71 -35.28 80.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.051 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 165' ' ' ALA . . . . . . . . . . . . . . . -58.31 -47.74 82.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.165 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.07 -49.66 66.82 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.572 -179.045 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.02 -56.24 15.52 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.047 -178.511 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 168' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -50.7 -49.09 58.33 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.8 -178.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -60.4 -48.95 79.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.902 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 68.9 tp -54.78 -46.37 74.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.805 -178.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -57.51 -43.25 94.16 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 -179.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 172' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -57.32 -44.56 84.27 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -62.99 -45.56 91.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.168 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 91.0 mt -63.51 -38.33 90.72 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.221 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 175' ' ' LEU . . . . . 0.612 HD13 ' O ' ' B' ' 175' ' ' LEU . 0.3 OUTLIER -59.37 -44.73 92.68 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.117 -178.782 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -67.13 -38.2 85.16 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.131 -0.628 . . . . 0.0 111.083 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 177' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -55.76 140.4 42.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.227 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 178' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -115.8 -46.71 2.83 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.53 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 179' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -62.52 140.46 58.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.886 0.374 . . . . 0.0 110.156 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 180' ' ' SER . . . . . . . . . . . . . 59.7 p -145.66 38.86 1.13 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.558 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 16.0 t -53.78 -25.62 19.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.056 0.455 . . . . 0.0 110.395 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 182' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -55.75 -34.88 65.61 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.043 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 183' ' ' LEU . . . . . . . . . . . . . 10.4 tp -58.27 -46.67 85.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.788 -177.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 184' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -68.07 -35.17 77.76 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.34 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 185' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' B' ' 189' ' ' ALA . 98.1 mt-10 -70.0 -42.09 73.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.818 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 186' ' ' ALA . . . . . . . . . . . . . . . -62.24 -40.15 95.21 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.494 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 187' ' ' ALA . . . . . . . . . . . . . . . -72.27 -56.95 4.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.676 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 188' ' ' SER . . . . . 0.436 ' O ' ' HB3' ' B' ' 189' ' ' ALA . 38.9 t -63.99 -40.95 97.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.091 0.472 . . . . 0.0 110.521 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 189' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' B' ' 185' ' ' GLU . . . . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.981 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.474 ' H2 ' ' HB3' ' A' ' 73' ' ' GLN . 59.2 mmm . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.0 155.58 21.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.531 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -101.3 118.68 37.46 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.464 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.4 mt -101.84 138.89 38.21 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.684 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.49 155.26 2.7 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.201 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -66.2 146.03 80.19 Favored 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 122.758 2.305 . . . . 0.0 112.123 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 20.6 mt -73.58 140.48 78.68 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.231 -179.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -69.39 167.39 24.08 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.481 2.12 . . . . 0.0 112.136 179.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -38.59 126.29 1.03 Allowed 'Trans proline' 0 C--N 1.316 -1.173 0 C-N-CA 122.449 2.099 . . . . 0.0 111.618 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.41 HD12 ' CE1' ' A' ' 59' ' ' PHE . 1.5 tt -99.23 116.87 64.84 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.384 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.51 149.93 29.13 Favored 'Trans proline' 0 N--CA 1.496 1.644 0 C-N-CA 122.323 2.015 . . . . 0.0 111.754 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.48 -19.97 65.9 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.851 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -59.78 -24.84 64.42 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.754 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -108.38 21.01 17.9 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 121.269 0.557 . . . . 0.0 110.483 -179.345 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.421 ' NZ ' ' NE2' ' A' ' 19' ' ' HIS . 7.0 tmtm? -59.52 -26.59 65.45 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.05 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.6 t -64.86 -47.96 76.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.86 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.402 HG12 ' H ' ' A' ' 17' ' ' ILE . 30.0 pt -85.3 -6.14 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.068 -179.452 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -55.36 -45.6 76.48 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.67 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.524 ' CD2' HH21 ' A' ' 22' ' ' ARG . 22.2 m170 -56.48 -37.49 70.41 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.234 0.54 . . . . 0.0 110.881 -179.527 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.56 -40.94 84.92 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.004 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.3 mt -59.7 -48.71 80.61 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.936 -178.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.524 HH21 ' CD2' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -62.2 -38.42 89.07 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.359 179.591 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 99.5 m -62.8 -44.06 97.16 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.212 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' A' ' 28' ' ' ASP . . . -67.44 -41.8 84.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.548 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -52.59 -45.23 66.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.322 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.426 ' OE1' ' OD1' ' B' ' 179' ' ' ASP . 77.7 tt0 -74.13 -47.39 36.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.046 0.45 . . . . 0.0 110.463 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.54 ' O ' ' N ' ' A' ' 31' ' ' ASP . 11.5 m80 -65.87 -21.86 66.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.579 -179.682 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 24' ' ' ALA . 5.9 t0 -56.77 -35.35 68.56 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.764 -0.375 . . . . 0.0 110.185 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.5 tptm -76.6 -36.3 57.59 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.937 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -90.21 -63.97 1.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.892 -179.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.54 ' N ' ' O ' ' A' ' 27' ' ' HIS . 37.5 m-20 -110.81 94.22 19.39 Favored Pre-proline 0 CA--C 1.537 0.443 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -69.15 -31.23 23.7 Favored 'Trans proline' 0 N--CA 1.494 1.518 0 C-N-CA 122.373 2.048 . . . . 0.0 111.875 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 94.3 t -62.65 -45.71 98.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.133 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.473 ' O ' ' SG ' ' A' ' 38' ' ' CYS . 65.3 t -67.86 -44.63 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.376 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.77 -35.88 77.53 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.287 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -63.02 -53.82 47.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.128 0.49 . . . . 0.0 110.624 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -65.19 -36.22 83.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.576 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.473 ' SG ' ' O ' ' A' ' 34' ' ' VAL . 95.1 m -57.52 -44.83 85.38 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.114 -179.569 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.8 mmt85 -64.17 -40.49 96.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.144 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 64.0 tp -56.82 -46.55 81.59 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.521 -179.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.408 ' O ' ' OG1' ' A' ' 45' ' ' THR . 16.2 t80 -59.12 -42.76 91.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.112 0.482 . . . . 0.0 110.071 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' A' ' 46' ' ' GLY . . . -63.68 -50.65 68.38 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.444 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 19.8 ttp -51.45 -65.99 0.46 Allowed 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 121.07 0.462 . . . . 0.0 111.408 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -51.59 -39.78 58.58 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.519 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 41' ' ' TYR . 40.5 m -70.74 -39.72 73.14 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.682 179.379 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -54.64 -62.34 6.33 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 111.471 -0.652 . . . . 0.0 111.471 -178.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.437 ' O ' ' O ' ' A' ' 50' ' ' ASP . 14.7 ptp -59.39 -38.67 81.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.092 0.472 . . . . 0.0 111.055 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.408 ' N ' ' CG ' ' A' ' 47' ' ' MET . 11.4 ttpt -59.93 -42.21 93.48 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.55 -178.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 71.4 mt -64.25 -46.58 92.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.18 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.505 ' OD1' ' O ' ' A' ' 46' ' ' GLY . 9.1 p-10 -98.18 -173.34 2.56 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 120.839 0.352 . . . . 0.0 110.433 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.437 ' O ' ' OG ' ' A' ' 51' ' ' SER . 6.5 t -136.2 55.15 1.86 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.413 -179.257 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.2 mttp 65.26 117.66 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.029 0.442 . . . . 0.0 110.505 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.489 HG23 ' H ' ' A' ' 56' ' ' CYS . 3.6 t -159.15 145.32 12.3 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.932 178.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -41.64 -54.99 2.5 Favored 'Trans proline' 0 C--N 1.313 -1.301 0 C-N-CA 122.242 1.961 . . . . 0.0 112.504 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -48.45 -61.88 1.78 Allowed 'General case' 0 C--O 1.241 0.644 0 CA-C-O 121.43 0.634 . . . . 0.0 110.532 -179.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.572 ' SG ' ' N ' ' A' ' 57' ' ' ARG . 8.3 p -57.66 -43.91 85.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.526 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.572 ' N ' ' SG ' ' A' ' 56' ' ' CYS . 52.8 ttt180 -44.06 -41.67 5.67 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.643 -179.576 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.65 -60.43 2.32 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.302 0.573 . . . . 0.0 111.016 -179.415 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.41 ' CE1' HD12 ' A' ' 10' ' ' LEU . 30.9 t80 -62.67 -47.36 84.03 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.299 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 56' ' ' CYS . 6.8 tp -56.51 -47.45 79.32 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.775 -178.093 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.9 t -56.95 -40.69 76.91 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.1 mmtt -63.15 -42.27 99.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.404 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 42.8 tp -60.39 -44.94 95.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.13 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 26.5 ttt -65.87 -39.97 91.19 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.195 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -56.74 -45.77 81.76 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.394 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -62.06 -44.81 95.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.426 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 mt -54.36 -51.81 63.6 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.779 -179.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -58.14 -49.85 75.56 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.135 0.493 . . . . 0.0 110.504 -179.225 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.59 -40.89 88.92 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.683 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.501 HD13 ' O ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -60.21 -41.24 92.62 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.077 -178.04 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -62.62 -40.07 95.8 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.993 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -59.91 -39.13 84.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.356 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.474 ' HB3' ' H2 ' ' A' ' 1' ' ' MET . 69.1 mm-40 -63.99 -50.98 66.43 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.22 179.693 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 60.8 mt -69.07 -31.43 70.18 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.719 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.14 -84.22 1.16 Allowed Glycine 0 N--CA 1.452 -0.298 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.463 ' O ' ' O ' ' A' ' 77' ' ' ASN . 34.4 m-20 -113.65 -65.99 1.13 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.959 0.409 . . . . 0.0 111.015 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.463 ' O ' ' O ' ' A' ' 76' ' ' ASP . 23.6 t-20 47.5 103.59 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.853 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.424 ' CB ' HG11 ' A' ' 85' ' ' VAL . 47.9 mt-10 -43.52 -45.26 6.44 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.74 -178.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.555 ' HA ' HG13 ' A' ' 85' ' ' VAL . . . -55.02 -28.62 53.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.496 -179.58 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.417 ' N ' ' O ' ' A' ' 77' ' ' ASN . 46.7 mm -98.82 -49.43 11.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.722 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.457 ' H ' ' HG1' ' A' ' 81' ' ' THR . 0.0 OUTLIER -61.94 -39.45 92.12 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.733 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -122.24 114.52 20.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.078 0.466 . . . . 0.0 110.714 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -62.05 -25.1 67.48 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.628 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 31.1 mm -48.67 -57.21 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.234 0.54 . . . . 0.0 110.492 -178.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.555 HG13 ' HA ' ' A' ' 79' ' ' ALA . 2.7 p -75.82 -32.58 24.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.273 -0.422 . . . . 0.0 109.979 179.004 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.653 ' O ' ' ND1' ' A' ' 89' ' ' HIS . . . -59.02 -41.42 96.44 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.183 -1.167 . . . . 0.0 110.183 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 7.8 t -70.86 -48.9 51.4 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 122.399 -0.471 . . . . 0.0 110.046 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -50.09 -52.55 33.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.056 -179.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.653 ' ND1' ' O ' ' A' ' 86' ' ' GLY . 1.4 p-80 -59.79 -44.81 93.77 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.088 0.471 . . . . 0.0 110.646 -179.615 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.542 ' N ' ' CG ' ' A' ' 89' ' ' HIS . 1.0 OUTLIER -58.3 -42.23 86.18 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.853 -178.81 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -61.6 -44.2 97.45 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.694 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -63.92 -41.9 97.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.011 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -60.26 -49.18 78.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.694 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.38 -41.74 88.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.1 tp -59.62 -45.51 91.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.091 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -62.76 -40.83 98.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.047 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 13.8 tpp -64.07 -53.19 53.73 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.397 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -59.64 -49.39 77.92 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.491 -179.085 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.452 ' O ' ' ND2' ' A' ' 103' ' ' ASN . 2.7 mm? -60.35 -40.38 90.5 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.82 -179.302 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.585 ' CE2' ' OE1' ' A' ' 104' ' ' GLU . 89.6 t80 -53.89 -46.98 71.53 Favored 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.265 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.91 -48.36 63.51 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.064 0.459 . . . . 0.0 111.077 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.71 -39.04 73.16 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.366 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 99' ' ' LEU . 88.2 m-20 -62.22 -48.49 79.75 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.098 0.475 . . . . 0.0 110.706 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.585 ' OE1' ' CE2' ' A' ' 100' ' ' TYR . 18.0 mt-10 -68.31 -31.21 70.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.549 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -64.89 -42.15 95.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.661 -179.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -42.31 99.45 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.228 -179.595 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.04 -5.34 4.5 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.362 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 78.26 33.41 40.04 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 43.5 ttm-85 -105.19 106.09 16.43 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.568 ' CZ ' ' O ' ' A' ' 162' ' ' PRO . 14.4 m-85 -107.45 138.15 44.18 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.577 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.454 ' CG ' ' O ' ' A' ' 110' ' ' PHE . 23.9 m-70 -165.87 163.05 18.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.693 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.478 ' HA ' HD12 ' A' ' 115' ' ' ILE . 26.1 mtpp -59.01 -35.26 72.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.012 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.54 ' OD1' ' CD1' ' B' ' 182' ' ' TYR . 40.0 t-20 -58.56 -38.76 78.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.925 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 33.9 mmm -67.63 -38.86 84.48 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.478 HD12 ' HA ' ' A' ' 112' ' ' LYS . 97.9 mt -58.49 -48.07 86.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.203 0.525 . . . . 0.0 110.483 -178.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -70.5 -28.45 64.97 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.18 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 11.8 p -58.64 -44.15 89.95 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -68.93 -45.21 71.38 Favored 'General case' 0 C--O 1.227 -0.104 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.248 179.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -59.91 -55.43 34.16 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.808 0.814 . . . . 0.0 109.786 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 11.3 m -58.72 -45.21 90.09 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.229 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -52.53 -38.36 59.56 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.408 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.2 p -63.08 -38.69 92.19 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.3 0.572 . . . . 0.0 109.598 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.459 ' O ' HG23 ' A' ' 127' ' ' VAL . 49.9 mt -61.31 -42.26 98.37 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.484 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.55 -44.06 97.27 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.4 0.619 . . . . 0.0 111.164 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.1 mt -56.8 -42.4 77.6 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.095 0 C-N-CA 120.138 -0.625 . . . . 0.0 109.6 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.518 ' O ' ' OG1' ' A' ' 129' ' ' THR . 5.8 m-20 -61.05 -40.49 93.83 Favored 'General case' 0 C--O 1.248 1.018 0 CA-C-O 122.479 1.133 . . . . 0.0 109.778 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.632 ' O ' HG22 ' A' ' 130' ' ' VAL . 94.5 t -57.64 -33.23 44.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.125 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 59.8 mt -73.38 -42.81 56.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.226 0.536 . . . . 0.0 110.886 178.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.563 HG22 HD22 ' A' ' 134' ' ' LEU . 68.6 p -49.45 -33.94 15.44 Favored 'General case' 0 CA--C 1.51 -0.595 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.411 -177.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.632 HG22 ' O ' ' A' ' 127' ' ' VAL . 10.9 m -41.67 -36.13 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.011 179.292 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.41 ' N ' HG23 ' A' ' 130' ' ' VAL . 56.1 m-85 -64.89 -44.17 90.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.623 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 100.26 -17.26 57.19 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -91.87 60.44 3.89 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.563 HD22 HG22 ' A' ' 129' ' ' THR . 40.0 tp -111.05 137.31 48.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.528 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 22.2 p -82.13 154.55 25.47 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-O 121.353 0.597 . . . . 0.0 110.541 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -58.59 -34.16 70.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.466 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -52.11 -44.54 64.49 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.628 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' ASN . . . . . 0.521 ' CB ' HD11 ' A' ' 134' ' ' LEU . 1.9 m120 -64.79 -37.85 89.0 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.824 0.345 . . . . 0.0 110.413 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 57.8 t -58.82 -43.87 89.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.166 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -64.18 -41.54 97.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.418 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 21.7 m80 -57.1 -43.11 81.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.953 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 10.8 ttm180 -60.71 -46.28 91.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.957 0.408 . . . . 0.0 110.043 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -62.64 -37.72 87.46 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.174 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -69.14 -47.55 64.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.341 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -56.17 -36.0 67.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.843 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 50.8 ttt180 -66.07 -48.13 72.03 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.025 0.44 . . . . 0.0 110.595 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 27.1 t90 -58.56 -44.61 89.77 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.309 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 20.9 mttm -63.4 -39.06 93.48 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.695 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -54.1 -51.78 63.08 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.712 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 9.8 p -72.24 -37.99 69.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.24 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -54.69 -49.14 71.39 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.796 -179.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 96.1 mt -66.64 -43.46 90.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.978 0.418 . . . . 0.0 110.737 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -57.14 -47.21 81.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.031 0.443 . . . . 0.0 110.627 -179.079 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' ASN . . . . . 0.576 ' O ' ' ND2' ' A' ' 158' ' ' ASN . 88.2 m-20 -63.87 -39.44 94.21 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.267 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 93.5 m -63.64 -39.3 94.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.356 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.676 ' O ' HD12 ' A' ' 156' ' ' LEU . 0.6 OUTLIER -62.18 -45.82 91.68 Favored 'General case' 0 N--CA 1.441 -0.875 0 CA-C-O 121.399 0.618 . . . . 0.0 111.011 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -65.38 -32.58 74.29 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.95 -178.091 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' ASN . . . . . 0.576 ' ND2' ' O ' ' A' ' 154' ' ' ASN . 65.6 m-80 -77.46 -19.41 56.01 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.859 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 81.83 37.84 15.32 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.497 -1.041 . . . . 0.0 110.497 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -127.8 128.35 45.12 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 120.847 0.355 . . . . 0.0 110.892 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 161' ' ' THR . . . . . 0.52 ' O ' HG23 ' A' ' 161' ' ' THR . 5.6 t -68.83 116.95 46.35 Favored Pre-proline 0 CA--C 1.539 0.534 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.903 -179.572 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 162' ' ' PRO . . . . . 0.568 ' O ' ' CZ ' ' A' ' 110' ' ' PHE . 54.4 Cg_exo -48.6 138.26 25.2 Favored 'Trans proline' 0 N--CA 1.496 1.668 0 C-N-CA 122.227 1.951 . . . . 0.0 112.24 -179.64 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 . . . . . 0 N--CA 1.464 0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.246 179.967 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.106 0 N-CA-C 110.462 -1.055 . . . . 0.0 110.462 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 30.6 p -93.66 132.12 30.71 Favored Pre-proline 0 CA--C 1.538 0.489 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.672 -179.462 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -73.45 -159.67 0.09 OUTLIER 'Trans proline' 0 N--CA 1.496 1.638 0 C-N-CA 122.436 2.091 . . . . 0.0 111.879 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 157' ' ' GLU . . . . . 0.412 ' CG ' ' O ' ' B' ' 157' ' ' GLU . 5.7 pt-20 -97.15 104.41 16.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.037 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.93 140.68 52.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.993 0.425 . . . . 0.0 110.652 -179.561 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.82 142.61 36.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.946 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 160' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -65.37 -34.91 79.43 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.76 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 161' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -65.14 -54.93 22.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.863 0.363 . . . . 0.0 110.998 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 162' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -62.25 -39.58 93.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.994 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 49.3 tp -57.56 -47.79 81.12 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.417 -178.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -65.61 -32.38 73.92 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.419 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 165' ' ' ALA . . . . . . . . . . . . . . . -58.9 -49.38 78.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.668 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 166' ' ' GLU . . . . . 0.529 ' OE1' ' ND2' ' A' ' 154' ' ' ASN . 0.8 OUTLIER -63.19 -44.92 94.05 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.62 -179.166 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.33 -55.9 26.22 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.853 -178.709 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 168' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.79 -43.96 63.25 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.678 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -64.29 -52.44 58.54 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.258 0.551 . . . . 0.0 110.286 179.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 3.4 tt -54.67 -44.47 73.33 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.474 -0.49 . . . . 0.0 110.121 -179.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -56.3 -45.38 88.66 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.667 -0.973 . . . . 0.0 110.667 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 172' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -56.86 -43.89 81.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.297 0.57 . . . . 0.0 109.555 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -58.44 -55.76 30.85 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.2 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 174' ' ' LEU . . . . . 0.446 ' O ' ' O ' ' B' ' 177' ' ' ASP . 94.1 mt -59.15 -39.04 81.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.097 -179.595 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 175' ' ' LEU . . . . . 0.647 ' C ' HD23 ' B' ' 175' ' ' LEU . 7.7 tt -51.33 -41.37 60.52 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.656 -0.418 . . . . 0.0 109.885 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -55.21 -33.97 63.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.037 -0.528 . . . . 0.0 109.998 179.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 177' ' ' ASP . . . . . 0.446 ' O ' ' O ' ' B' ' 174' ' ' LEU . 9.9 t70 -140.56 112.5 7.64 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.122 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 178' ' ' GLU . . . . . . . . . . . . . 43.5 tp10 -119.45 -28.2 5.4 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.918 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 179' ' ' ASP . . . . . 0.426 ' OD1' ' OE1' ' A' ' 26' ' ' GLU . 55.0 m-20 -90.27 128.91 36.54 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.9 0.381 . . . . 0.0 110.838 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 180' ' ' SER . . . . . . . . . . . . . 1.5 t -165.22 165.69 19.47 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.729 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 17.5 p -81.27 -10.43 59.59 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.532 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 182' ' ' TYR . . . . . 0.54 ' CD1' ' OD1' ' A' ' 113' ' ' ASN . 0.1 OUTLIER -53.52 -44.14 68.88 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 121.434 0.635 . . . . 0.0 110.304 -179.188 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 183' ' ' LEU . . . . . 0.504 ' N ' ' CG ' ' B' ' 182' ' ' TYR . 1.1 pp -67.23 -35.78 80.28 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.324 -179.329 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 184' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -66.72 -36.51 82.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.786 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -67.06 -43.64 82.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.515 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.77 -38.96 89.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.525 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 187' ' ' ALA . . . . . . . . . . . . . . . -68.52 -38.43 80.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.941 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 188' ' ' SER . . . . . 0.427 ' O ' ' C ' ' B' ' 189' ' ' ALA . 54.3 p -68.04 -32.41 72.75 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.703 -179.518 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 189' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' B' ' 188' ' ' SER . . . . . . . . 0 CA--C 1.54 0.565 0 O-C-N 123.653 0.595 . . . . 0.0 111.271 -178.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.1 ttm . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.28 151.31 47.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.494 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -85.13 152.31 23.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.433 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 30.7 mt -118.65 151.97 36.96 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.159 0.504 . . . . 0.0 110.679 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.34 153.76 13.04 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.423 -179.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -68.71 148.89 72.65 Favored 'Trans proline' 0 N--CA 1.494 1.551 0 C-N-CA 122.734 2.289 . . . . 0.0 111.938 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 52.4 mt -85.03 145.31 43.07 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.904 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -68.1 166.48 24.81 Favored 'Trans proline' 0 N--CA 1.494 1.543 0 C-N-CA 122.593 2.196 . . . . 0.0 112.281 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -40.69 144.89 0.42 Allowed 'Trans proline' 0 C--N 1.311 -1.426 0 C-N-CA 122.621 2.214 . . . . 0.0 111.62 179.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 tt -106.35 104.68 51.4 Favored Pre-proline 0 CA--C 1.54 0.574 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.731 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -50.79 153.52 8.18 Favored 'Trans proline' 0 N--CA 1.497 1.68 0 C-N-CA 122.467 2.111 . . . . 0.0 112.462 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.31 -23.61 67.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.613 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -56.17 -25.46 46.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.658 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -113.75 26.95 9.92 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.402 0.62 . . . . 0.0 110.781 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -66.01 -23.78 66.63 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.713 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.9 p -73.77 -52.93 11.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.153 0.501 . . . . 0.0 111.34 -179.008 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -72.21 -12.5 15.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.414 -179.449 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -50.29 -37.15 34.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.875 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.62 -40.68 88.38 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.146 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -64.11 -42.52 96.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.565 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.71 -40.17 96.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.967 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.23 -48.41 81.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.228 0.537 . . . . 0.0 110.422 -178.615 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 28.3 m -63.03 -43.17 99.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.318 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.69 -49.41 77.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.877 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -54.87 -46.1 74.67 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.737 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.0 tp10 -68.09 -52.03 39.76 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.673 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.494 ' O ' ' N ' ' A' ' 31' ' ' ASP . 0.3 OUTLIER -61.05 -26.48 67.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.573 -179.601 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -49.97 -38.45 36.93 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.125 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -77.49 -34.09 54.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.826 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.8 mmp_? -86.75 -65.44 1.01 Allowed 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.085 -178.328 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.494 ' N ' ' O ' ' A' ' 27' ' ' HIS . 38.3 m-20 -124.13 107.95 30.15 Favored Pre-proline 0 CA--C 1.54 0.585 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.862 -179.588 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.39 -22.55 21.51 Favored 'Trans proline' 0 N--CA 1.492 1.411 0 C-N-CA 121.979 1.786 . . . . 0.0 111.879 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 79.7 t -62.33 -51.78 68.15 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.03 -178.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.464 HG13 ' N ' ' A' ' 35' ' ' ALA . 8.1 p -71.93 -39.75 67.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.389 179.526 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.464 ' N ' HG13 ' A' ' 34' ' ' VAL . . . -61.1 -42.53 98.7 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.385 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -61.78 -48.69 79.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.778 0.323 . . . . 0.0 110.513 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -63.89 -39.76 94.93 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.567 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 93.6 m -60.85 -44.22 97.28 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.847 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.537 HH22 ' CB ' ' A' ' 70' ' ' LEU . 44.2 mtm180 -60.38 -43.81 96.23 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.005 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 tt -58.6 -43.53 89.58 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.472 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.418 ' O ' ' OG1' ' A' ' 45' ' ' THR . 7.0 t80 -54.89 -45.88 74.72 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 121.333 0.587 . . . . 0.0 109.938 179.357 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.13 -49.38 77.47 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.632 -179.148 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 32.3 ttp -50.67 -58.15 6.56 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 120.852 0.358 . . . . 0.0 110.957 -178.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -60.16 -35.86 76.27 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.699 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 41' ' ' TYR . 18.4 m -71.3 -41.53 69.83 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.933 0.397 . . . . 0.0 110.616 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -62.05 -46.72 93.45 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.854 -0.498 . . . . 0.0 111.854 -178.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.453 ' O ' ' O ' ' A' ' 50' ' ' ASP . 10.6 ptt? -65.6 -35.92 82.23 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -66.7 -41.59 87.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.853 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 70.6 mt -62.33 -44.89 99.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.994 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.453 ' O ' ' O ' ' A' ' 47' ' ' MET . 7.9 m-20 -110.06 -168.1 1.28 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.973 0.416 . . . . 0.0 110.275 -179.446 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.1 t -151.23 4.52 0.45 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.051 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.55 ' O ' ' O ' ' A' ' 53' ' ' THR . 10.6 mttm 179.73 -97.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.797 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.55 ' O ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER 52.28 142.47 0.03 OUTLIER Pre-proline 0 CA--C 1.543 0.706 0 O-C-N 123.939 0.774 . . . . 0.0 110.704 -178.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -70.49 -51.21 0.34 Allowed 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 121.944 1.763 . . . . 0.0 111.78 179.284 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -65.08 -31.94 73.41 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.517 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.446 ' SG ' HD13 ' A' ' 60' ' ' LEU . 30.7 t -72.29 -67.21 0.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.05 -179.399 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 58' ' ' LYS . 20.2 ptp180 -41.11 -42.17 1.93 Allowed 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.726 -179.221 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.424 ' N ' ' HG3' ' A' ' 57' ' ' ARG . 0.3 OUTLIER -64.97 -43.26 93.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.056 0.455 . . . . 0.0 110.655 -179.765 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -61.64 -44.56 96.76 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.285 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.446 HD13 ' SG ' ' A' ' 56' ' ' CYS . 10.9 mp -62.14 -42.53 99.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.68 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 34.5 t -55.56 -48.14 75.25 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.716 -0.393 . . . . 0.0 110.366 -179.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.3 mmtt -66.78 -41.43 87.67 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 36.2 tp -61.2 -41.94 97.71 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.157 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 19.9 ttm -66.0 -39.79 90.6 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.423 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -58.18 -44.46 88.03 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.059 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.492 ' C ' HH12 ' A' ' 39' ' ' ARG . 72.6 mt-30 -62.45 -44.0 97.47 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.432 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.0 mt -57.54 -46.76 83.5 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.8 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -66.48 -43.18 86.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.168 0.508 . . . . 0.0 110.501 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.46 -38.78 92.44 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.101 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.537 ' CB ' HH22 ' A' ' 39' ' ' ARG . 0.2 OUTLIER -61.67 -43.27 99.17 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.073 -178.586 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.487 ' NZ ' ' O ' ' A' ' 75' ' ' GLY . 26.9 tptp -63.43 -37.88 88.99 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.855 179.561 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.7 tptt -59.7 -44.61 93.59 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.479 -178.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -63.16 -47.77 81.28 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.731 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.2 mt -69.66 -30.44 68.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.443 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.487 ' O ' ' NZ ' ' A' ' 71' ' ' LYS . . . 74.93 -84.86 0.79 Allowed Glycine 0 C--O 1.229 -0.185 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -145.5 80.64 1.6 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 61.1 t-20 -90.01 126.8 35.89 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.403 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -46.85 -37.99 9.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.286 -179.349 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.403 ' HA ' HG13 ' A' ' 85' ' ' VAL . . . -62.2 -36.73 82.83 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.45 -178.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 12.3 mm -94.14 -43.77 13.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.034 -179.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 36.3 p -62.59 -54.0 46.26 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.122 -178.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -100.44 106.93 18.55 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.266 0.555 . . . . 0.0 110.949 -178.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.92 -26.03 33.33 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.037 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 42.6 mm -49.53 -55.76 4.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.571 -177.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.454 ' H ' HG12 ' A' ' 85' ' ' VAL . 1.8 p -73.13 -35.92 48.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.484 178.584 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.39 -46.8 93.31 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 -179.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.5 t -63.73 -50.97 67.03 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 179.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.81 -36.91 75.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.434 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 69.4 t60 -58.84 -45.5 89.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.352 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -63.74 -44.41 93.59 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.099 -179.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.529 ' N ' ' OE1' ' A' ' 91' ' ' GLU . 0.4 OUTLIER -62.38 -42.56 99.51 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.58 -178.7 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -61.42 -42.65 99.08 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.276 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -61.66 -47.67 84.31 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.133 0.492 . . . . 0.0 110.689 -179.497 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.28 -48.79 80.22 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.907 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.1 tp -60.87 -42.53 98.08 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.696 -179.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 45.7 tptt -60.15 -49.25 78.36 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.627 0.727 . . . . 0.0 111.66 -178.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.441 ' SD ' ' CD1' ' A' ' 124' ' ' LEU . 5.6 ptm -77.11 -35.31 56.46 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.305 -178.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -63.62 -53.35 52.92 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 120.477 -0.489 . . . . 0.0 109.891 -178.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.74 -40.44 88.08 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.77 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -51.32 -46.95 62.75 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 119.782 -0.767 . . . . 0.0 110.354 179.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.31 -44.9 78.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.399 0.618 . . . . 0.0 111.009 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -61.9 -37.55 85.05 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.324 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 22.6 t30 -63.14 -43.73 97.54 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.472 179.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -70.53 -31.09 68.02 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.381 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -60.78 -51.82 67.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.267 -179.213 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 106' ' ' ARG . 2.3 ptt-85 -68.78 -35.94 77.67 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.114 0.483 . . . . 0.0 110.45 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.33 -10.67 17.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.127 -178.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 82.59 22.84 57.63 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.509 ' O ' ' SD ' ' A' ' 114' ' ' MET . 2.0 mmt85 -97.82 101.2 12.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.726 0.298 . . . . 0.0 110.612 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -101.62 133.79 45.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.874 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -168.36 151.93 5.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.292 179.392 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 57.7 pttt -50.94 -21.08 1.56 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.387 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -64.22 -39.44 93.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.494 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.509 ' SD ' ' O ' ' A' ' 109' ' ' ARG . 3.0 mtm -61.77 -40.98 97.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.687 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.37 -49.13 85.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.06 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 9.3 tttm -65.52 -29.5 70.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.648 -179.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.41 ' OG ' ' N ' ' A' ' 118' ' ' PHE . 10.6 p -61.71 -52.18 65.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.773 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.41 ' N ' ' OG ' ' A' ' 117' ' ' SER . 61.3 m-85 -64.26 -38.62 91.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.597 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -57.69 -55.85 29.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.058 0.456 . . . . 0.0 110.499 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 11.9 m -58.25 -40.88 82.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.963 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -57.37 -40.85 78.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.233 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 49.7 p -61.37 -42.31 98.49 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-O 121.667 0.746 . . . . 0.0 110.719 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 95.5 mt -62.36 -42.51 99.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.447 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.441 ' CD1' ' SD ' ' A' ' 97' ' ' MET . 15.0 mt -61.11 -38.54 86.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.423 0.63 . . . . 0.0 110.462 -179.727 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 89.8 mt -59.01 -42.58 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.417 ' O ' ' OG1' ' A' ' 129' ' ' THR . 37.0 t0 -57.97 -41.81 83.74 Favored 'General case' 0 C--O 1.249 1.045 0 CA-C-O 122.109 0.956 . . . . 0.0 110.506 179.127 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.685 ' O ' HG22 ' A' ' 130' ' ' VAL . 14.0 t -57.98 -34.3 48.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.671 179.276 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 89.9 mt -70.34 -43.79 78.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.907 178.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.575 HG22 HD11 ' A' ' 134' ' ' LEU . 67.4 p -51.33 -39.78 57.68 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.806 -176.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.685 HG22 ' O ' ' A' ' 127' ' ' VAL . 3.5 m -40.73 -28.18 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 C-N-CA 120.036 -0.666 . . . . 0.0 111.104 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.423 ' N ' ' O ' ' A' ' 129' ' ' THR . 35.3 m-85 -71.35 -44.3 65.3 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.837 179.498 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 129' ' ' THR . . . 104.35 34.45 3.63 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -121.42 59.52 0.96 Allowed 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 120.922 0.391 . . . . 0.0 110.702 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.658 ' CD1' HD22 ' A' ' 138' ' ' ASN . 3.9 mm? -81.78 88.8 6.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.391 -178.564 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.409 ' O ' ' OD1' ' A' ' 138' ' ' ASN . 7.6 p -83.49 146.16 28.53 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.051 179.042 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -42.05 -41.8 2.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.671 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -54.22 -56.66 16.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.642 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' ASN . . . . . 0.658 HD22 ' CD1' ' A' ' 134' ' ' LEU . 0.1 OUTLIER -54.19 -45.05 72.08 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.081 0.467 . . . . 0.0 110.324 -179.275 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 139' ' ' VAL . . . . . 0.425 ' N ' ' CG ' ' A' ' 138' ' ' ASN . 61.7 t -61.73 -45.98 97.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.832 -178.039 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 4.7 ttmm -60.66 -45.38 94.35 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.454 0.645 . . . . 0.0 110.564 -178.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 34.6 m170 -64.33 -42.09 96.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.132 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -57.75 -42.69 84.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.392 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -62.32 -39.49 93.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -70.39 -42.76 71.28 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.516 -0.474 . . . . 0.0 111.578 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -55.9 -46.77 78.29 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.853 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.435 ' O ' HG23 ' A' ' 150' ' ' THR . 60.1 mtp85 -65.59 -45.23 84.03 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.974 -0.29 . . . . 0.0 111.633 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 18.1 t90 -61.39 -49.23 77.75 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.938 0.399 . . . . 0.0 111.085 -178.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -61.5 -39.91 92.66 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.807 -178.273 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -60.23 -48.12 83.07 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' THR . . . . . 0.435 HG23 ' O ' ' A' ' 146' ' ' ARG . 37.3 p -73.8 -43.07 59.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.175 -179.025 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -52.4 -53.18 48.44 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.78 0.324 . . . . 0.0 110.838 -178.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 84.1 mt -65.58 -42.68 93.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.903 0.382 . . . . 0.0 110.521 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' HIS . . . . . 0.408 ' NE2' ' CE ' ' A' ' 157' ' ' LYS . 73.3 t60 -50.84 -52.57 40.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.051 -178.641 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -64.6 -37.25 86.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.455 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.14 -40.23 80.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.109 0.481 . . . . 0.0 110.833 -179.272 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.689 ' O ' HD12 ' A' ' 156' ' ' LEU . 0.1 OUTLIER -71.15 -42.09 69.6 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.279 0.561 . . . . 0.0 110.687 -179.564 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.511 ' N ' ' HG ' ' A' ' 156' ' ' LEU . 46.4 mttm -62.23 -34.34 76.31 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.628 -177.021 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -86.38 -14.44 43.42 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.77 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 83.57 14.17 74.11 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 110.655 -0.978 . . . . 0.0 110.655 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -82.18 142.75 31.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.717 0.294 . . . . 0.0 110.574 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 54.2 m -81.51 127.79 71.97 Favored Pre-proline 0 CA--C 1.539 0.548 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.547 -179.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -73.07 157.72 50.45 Favored 'Trans proline' 0 N--CA 1.497 1.717 0 C-N-CA 122.394 2.063 . . . . 0.0 112.068 179.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 . . . . . 0 C--N 1.332 -0.181 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.223 179.509 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.37 0 N-CA-C 110.556 -1.017 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 3.1 p -106.82 130.22 23.22 Favored Pre-proline 0 CA--C 1.54 0.59 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.018 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -73.86 -155.36 0.04 OUTLIER 'Trans proline' 0 N--CA 1.497 1.689 0 C-N-CA 122.461 2.107 . . . . 0.0 111.644 179.08 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 157' ' ' GLU . . . . . 0.487 ' C ' HD22 ' B' ' 158' ' ' LEU . 3.6 pt-20 -91.39 101.85 14.53 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.98 0.419 . . . . 0.0 110.09 179.435 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 158' ' ' LEU . . . . . 0.691 HD22 ' N ' ' B' ' 158' ' ' LEU . 3.2 mm? -96.14 127.01 41.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.217 0.532 . . . . 0.0 110.483 -179.334 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -77.13 114.47 15.97 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.937 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 160' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -44.08 -41.02 5.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.832 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 161' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -63.99 -50.01 70.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.984 0.421 . . . . 0.0 110.497 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 162' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -63.75 -49.18 74.03 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.462 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.13 -46.05 22.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.177 0.513 . . . . 0.0 110.532 -179.478 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.6 -36.99 83.95 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 165' ' ' ALA . . . . . . . . . . . . . . . -59.11 -45.76 90.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.715 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.74 -42.28 74.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.927 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.7 -56.14 25.59 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.389 -178.731 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 168' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -53.06 -48.8 67.39 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.221 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -60.6 -48.42 81.87 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.059 0.457 . . . . 0.0 110.269 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 7.6 tt -57.37 -43.36 83.49 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.356 -178.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -58.66 -43.44 96.27 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 172' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -58.58 -40.59 83.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.825 0.345 . . . . 0.0 110.45 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -61.46 -52.8 63.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.945 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 174' ' ' LEU . . . . . 0.411 HD12 ' N ' ' B' ' 174' ' ' LEU . 10.9 mp -63.58 -37.99 89.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.02 0.438 . . . . 0.0 110.493 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 175' ' ' LEU . . . . . 0.607 HD13 ' O ' ' B' ' 175' ' ' LEU . 0.2 OUTLIER -66.48 -42.29 87.71 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 120.265 -0.574 . . . . 0.0 110.554 -179.529 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -73.93 -40.17 63.29 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 120.559 -0.457 . . . . 0.0 111.152 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 177' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -55.49 145.71 22.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.377 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 178' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -91.77 14.07 16.43 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.372 0.606 . . . . 0.0 110.056 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 179' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -65.61 138.64 58.15 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.346 -0.542 . . . . 0.0 110.482 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 180' ' ' SER . . . . . . . . . . . . . 45.9 p -158.68 -21.62 0.08 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.928 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 181' ' ' SER . . . . . 0.441 ' O ' ' OD2' ' B' ' 184' ' ' ASP . 81.9 p -56.61 -25.82 54.07 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-O 121.12 0.486 . . . . 0.0 110.547 -179.508 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 182' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.35 -31.95 64.25 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.207 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 183' ' ' LEU . . . . . . . . . . . . . 8.5 tp -56.82 -51.31 69.47 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.713 -176.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 184' ' ' ASP . . . . . 0.441 ' OD2' ' O ' ' B' ' 181' ' ' SER . 3.1 p30 -68.64 -30.95 69.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.726 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -60.24 -58.15 9.75 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.646 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.81 -33.96 75.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.325 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 187' ' ' ALA . . . . . . . . . . . . . . . -68.16 -42.81 79.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 188' ' ' SER . . . . . . . . . . . . . 34.1 m -102.23 24.27 10.46 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.994 -0.372 . . . . 0.0 109.994 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 189' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.48 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.754 -179.169 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 27.3 mt . . . . . 0 CA--C 1.519 -0.234 0 CA-C-O 121.062 0.458 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.54 151.84 76.36 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.728 -179.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -68.91 154.75 70.37 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.661 2.241 . . . . 0.0 111.938 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.09 151.11 69.66 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.063 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -60.34 166.64 9.03 Favored 'Trans proline' 0 N--CA 1.495 1.594 0 C-N-CA 122.49 2.127 . . . . 0.0 112.115 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -38.08 131.81 0.88 Allowed 'Trans proline' 0 C--N 1.311 -1.437 0 C-N-CA 122.654 2.236 . . . . 0.0 111.312 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.8 tp -97.23 112.12 60.01 Favored Pre-proline 0 CA--C 1.541 0.632 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.975 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_exo -54.71 163.57 3.83 Favored 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 122.581 2.187 . . . . 0.0 112.14 177.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.89 -23.88 65.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.043 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -60.12 -11.36 5.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.752 -179.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -122.46 28.33 7.44 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 121.195 0.522 . . . . 0.0 110.65 -179.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.2 pttt -63.09 -31.1 72.16 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.65 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.7 m -63.93 -44.79 91.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.775 0.321 . . . . 0.0 111.657 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.6 pt -87.18 -9.9 11.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.964 -179.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -49.82 -48.72 50.66 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.954 -179.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -65.11 -40.59 94.75 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.036 0.446 . . . . 0.0 110.852 -178.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -57.58 -42.49 83.24 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.327 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 59.0 mt -63.08 -44.53 95.5 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.532 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -62.34 -38.53 89.84 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.27 0.557 . . . . 0.0 110.586 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 90.0 m -60.91 -42.2 97.59 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.928 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.21 -39.64 94.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.509 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -55.15 -42.4 73.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.953 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -72.81 -48.97 33.42 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.427 0.632 . . . . 0.0 110.704 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.434 ' O ' ' O ' ' A' ' 31' ' ' ASP . 15.8 m80 -64.03 -25.3 68.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.187 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -53.34 -45.44 69.11 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.341 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -75.94 -48.61 20.54 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.85 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -63.08 -50.77 69.25 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.967 0.413 . . . . 0.0 110.783 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.434 ' O ' ' O ' ' A' ' 27' ' ' HIS . 5.6 m-20 -153.99 116.24 2.6 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.895 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -70.24 -19.89 33.26 Favored 'Trans proline' 0 C--N 1.313 -1.297 0 C-N-CA 122.141 1.894 . . . . 0.0 112.345 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 83.0 t -61.34 -50.84 78.79 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.927 -179.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 57.8 t -68.37 -43.12 84.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.012 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.88 -39.33 88.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.69 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.551 ' CD2' ' CD1' ' A' ' 80' ' ' ILE . 77.9 t80 -60.44 -53.95 51.47 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.232 0.539 . . . . 0.0 110.705 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -62.71 -34.37 77.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.095 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.5 m -60.27 -44.96 94.87 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.151 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -60.27 -38.76 84.57 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.7 tp -57.7 -44.79 86.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.981 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.54 ' CE1' ' OD1' ' A' ' 126' ' ' ASP . 65.0 t80 -57.68 -46.65 84.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.119 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.34 -52.7 63.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.809 -179.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.8 ttp -57.51 -46.52 83.69 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.671 -179.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -63.47 -41.77 98.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.349 0.595 . . . . 0.0 110.718 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.0 m -72.08 -34.96 69.08 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.497 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -60.75 -49.13 81.96 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 111.769 -0.532 . . . . 0.0 111.769 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.59 ' SD ' ' N ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -68.99 -34.8 75.88 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-O 121.012 0.434 . . . . 0.0 110.022 179.681 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.59 ' N ' ' SD ' ' A' ' 47' ' ' MET . 88.7 tttt -62.35 -43.46 98.76 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.481 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 93.3 mt -67.33 -46.59 83.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.731 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.563 ' O ' ' O ' ' A' ' 47' ' ' MET . 4.8 p-10 -142.97 -148.75 0.24 Allowed 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.571 -178.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 50' ' ' ASP . 1.7 m 157.44 14.31 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.612 ' O ' ' O ' ' A' ' 53' ' ' THR . 60.4 tttt -125.85 -139.73 0.28 Allowed 'General case' 0 CA--C 1.515 -0.375 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.612 ' O ' ' O ' ' A' ' 52' ' ' LYS . 0.6 OUTLIER 38.61 113.43 0.0 OUTLIER Pre-proline 0 CA--C 1.541 0.613 0 O-C-N 124.415 1.072 . . . . 0.0 111.071 -179.722 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -40.52 -27.55 0.28 Allowed 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 121.588 1.525 . . . . 0.0 112.251 -179.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 53' ' ' THR . 44.4 mt-10 -67.43 -45.25 76.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.911 0.386 . . . . 0.0 110.19 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.56 ' SG ' ' OD2' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -71.45 -53.58 13.5 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.257 179.748 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -47.46 -46.84 27.19 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.359 -178.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm -66.58 -42.03 87.65 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.94 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -58.99 -46.47 88.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.756 -179.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.87 -41.45 99.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.269 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 52.9 p -58.94 -44.28 91.35 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.363 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -65.19 -44.48 88.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.45 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 35.7 tp -61.81 -43.04 99.65 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.868 -178.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.7 ttt -61.59 -41.81 97.97 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.391 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -60.29 -41.31 93.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.654 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -63.52 -40.56 97.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.414 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.9 mt -62.13 -44.34 96.85 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.23 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -62.9 -46.48 87.6 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.68 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.67 -41.41 99.07 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.424 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.569 HD13 ' O ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -61.31 -46.63 89.51 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.414 -0.515 . . . . 0.0 110.581 -178.757 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -58.3 -42.53 86.84 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.143 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? -63.71 -42.18 97.99 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.953 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -54.2 -50.03 68.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.686 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 70.0 mt -67.3 -29.48 69.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.605 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.66 -85.76 1.42 Allowed Glycine 0 N--CA 1.452 -0.256 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.5 ' O ' ' O ' ' A' ' 77' ' ' ASN . 0.0 OUTLIER -115.7 -64.95 1.24 Allowed 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.813 0.34 . . . . 0.0 110.401 -178.775 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.5 ' O ' ' O ' ' A' ' 76' ' ' ASP . 44.4 t-20 50.58 113.63 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.451 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -51.25 -30.92 19.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.908 0.385 . . . . 0.0 110.295 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.04 -32.19 71.52 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.131 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.551 ' CD1' ' CD2' ' A' ' 36' ' ' TYR . 7.7 mm -93.26 -49.22 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.013 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.499 HG23 ' O ' ' A' ' 76' ' ' ASP . 1.0 OUTLIER -63.41 -52.87 59.77 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.325 -179.784 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -99.0 98.07 9.15 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.231 0.539 . . . . 0.0 110.313 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.662 ' CD ' ' H ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -59.91 -21.07 60.62 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.804 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 84.6 mt -58.53 -51.75 67.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.129 -179.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.0 m -74.29 -36.21 42.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.899 0.38 . . . . 0.0 110.497 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -61.34 -45.17 97.0 Favored Glycine 0 CA--C 1.52 0.357 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 3.0 t -64.75 -49.88 69.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.876 0.369 . . . . 0.0 110.418 179.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.09 -39.36 72.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.409 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -63.77 -43.67 95.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.742 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.2 mt -60.95 -41.74 96.91 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.379 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -61.24 -43.86 98.19 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.459 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -64.08 -41.27 97.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.766 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -60.01 -47.89 83.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.383 -179.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.37 -41.12 98.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.427 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 8.3 mt -61.79 -46.24 90.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.32 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -60.09 -43.88 95.21 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.601 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 24.3 tpp -63.94 -46.72 83.46 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.396 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.547 ' CE2' ' OD2' ' A' ' 102' ' ' ASP . 37.1 t80 -62.29 -52.72 62.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.303 -179.112 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.61 -40.85 72.64 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.109 -178.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -56.55 -47.4 79.55 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.005 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.654 ' HB1' ' CE2' ' A' ' 118' ' ' PHE . . . -65.45 -40.24 93.01 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 121.178 0.513 . . . . 0.0 110.392 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.547 ' OD2' ' CE2' ' A' ' 98' ' ' PHE . 85.8 m-20 -64.59 -38.51 91.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.341 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -60.37 -47.49 85.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.033 0.444 . . . . 0.0 110.185 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -72.26 -26.47 62.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.66 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -60.87 -52.25 65.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 48.8 ptt85 -72.91 -28.5 62.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.801 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.86 -14.09 50.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.368 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 81.23 32.71 30.85 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.553 ' O ' ' SD ' ' A' ' 114' ' ' MET . 28.6 ttm180 -125.18 106.01 9.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.628 0.252 . . . . 0.0 110.562 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.486 ' O ' ' CG ' ' A' ' 111' ' ' HIS . 24.3 m-85 -111.87 142.26 44.47 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.168 -179.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.486 ' CG ' ' O ' ' A' ' 110' ' ' PHE . 51.3 m-70 -163.29 171.0 16.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.266 0.555 . . . . 0.0 110.407 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.656 ' HA ' HD12 ' A' ' 115' ' ' ILE . 0.5 OUTLIER -63.0 -34.17 76.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.616 179.824 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.461 ' OD1' ' N ' ' A' ' 114' ' ' MET . 5.0 p30 -57.8 -45.52 85.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.187 0.518 . . . . 0.0 110.395 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.553 ' SD ' ' O ' ' A' ' 109' ' ' ARG . 72.9 mtp -64.55 -38.07 89.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.697 179.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.656 HD12 ' HA ' ' A' ' 112' ' ' LYS . 96.5 mt -57.06 -42.19 78.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 -179.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -65.18 -37.73 88.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.29 178.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 42.2 m -58.83 -47.31 85.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.959 -178.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.654 ' CE2' ' HB1' ' A' ' 101' ' ' ALA . 37.5 m-85 -63.09 -50.12 71.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 110.701 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -62.01 -49.35 76.39 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.378 0.608 . . . . 0.0 110.493 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 95.3 m -57.76 -41.68 82.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.762 -179.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -57.65 -37.45 73.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.223 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 36.3 p -62.0 -41.24 97.84 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.131 0.491 . . . . 0.0 110.398 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 54.3 mt -61.53 -39.26 90.4 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.072 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -62.68 -41.93 99.36 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.599 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.509 ' HA ' HD12 ' A' ' 128' ' ' ILE . 96.8 mt -58.57 -41.96 83.41 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.084 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.54 ' OD1' ' CE1' ' A' ' 41' ' ' TYR . 18.7 t0 -58.87 -42.87 90.5 Favored 'General case' 0 C--O 1.254 1.341 0 CA-C-O 122.018 0.913 . . . . 0.0 110.26 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.798 ' O ' HG22 ' A' ' 130' ' ' VAL . 97.6 t -61.68 -25.94 38.3 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.653 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.294 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.509 HD12 ' HA ' ' A' ' 125' ' ' ILE . 96.7 mt -76.11 -40.7 37.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.462 0.649 . . . . 0.0 110.233 178.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.512 HG22 ' HG ' ' A' ' 134' ' ' LEU . 18.0 p -58.01 -40.76 81.59 Favored 'General case' 0 CA--C 1.511 -0.534 0 O-C-N 121.789 -0.569 . . . . 0.0 111.378 -177.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.798 HG22 ' O ' ' A' ' 127' ' ' VAL . 11.9 m -44.26 -29.0 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.839 -179.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -63.07 -29.4 70.78 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 120.885 0.374 . . . . 0.0 110.3 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 111.97 -15.16 26.13 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.459 ' O ' ' CB ' ' A' ' 134' ' ' LEU . 84.7 mt-10 -77.85 -127.5 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.814 0.34 . . . . 0.0 110.314 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.512 ' HG ' HG22 ' A' ' 129' ' ' THR . 0.4 OUTLIER 81.64 101.89 0.06 Allowed 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.553 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 11.7 p -94.87 168.04 11.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.832 179.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -54.63 -37.1 65.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.255 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -52.74 -50.98 62.35 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.095 0.474 . . . . 0.0 110.748 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -62.46 -38.04 88.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.192 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 94.1 t -59.98 -44.39 94.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.007 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -58.31 -41.81 85.32 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 6.3 m170 -64.09 -43.16 96.23 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.888 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -57.57 -43.92 84.89 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.146 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 10.6 ttmm -62.87 -37.38 86.64 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.471 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -71.14 -42.73 68.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.603 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -61.45 -45.31 94.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.722 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 54.4 mtt-85 -64.31 -43.65 94.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.961 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 31.2 t90 -65.23 -46.81 79.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.579 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 9.4 ttmm -64.04 -34.4 77.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.824 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -63.13 -50.38 70.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.588 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 56.7 p -75.25 -41.24 57.86 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.183 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -51.81 -50.53 60.61 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.232 -178.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 84.1 mt -67.41 -44.01 87.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.727 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 46.8 t60 -63.71 -45.15 91.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.764 -178.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' ASN . . . . . 0.441 ' ND2' ' OE1' ' B' ' 166' ' ' GLU . 20.3 t-20 -62.87 -42.88 99.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.475 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 84.4 m -65.74 -33.86 76.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.21 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.517 ' O ' HD12 ' A' ' 156' ' ' LEU . 0.9 OUTLIER -60.92 -46.12 91.93 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 121.084 0.469 . . . . 0.0 110.096 179.609 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 31.7 mttm -64.36 -36.36 83.88 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.689 -178.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 73.0 m-80 -69.6 -18.87 63.65 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.668 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 83.96 46.26 6.01 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -129.04 141.83 51.1 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.958 0.408 . . . . 0.0 110.572 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . 0.555 ' O ' HG23 ' A' ' 161' ' ' THR . 11.3 t -78.61 123.34 85.52 Favored Pre-proline 0 CA--C 1.541 0.601 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.751 -179.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_exo -46.62 166.6 0.07 OUTLIER 'Trans proline' 0 N--CA 1.495 1.575 0 C-N-CA 122.52 2.147 . . . . 0.0 112.358 179.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.202 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.34 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 -0.049 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -131.24 150.71 77.26 Favored Pre-proline 0 CA--C 1.536 0.411 0 C-N-CA 121.197 -0.201 . . . . 0.0 110.626 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -77.78 163.01 29.32 Favored 'Trans proline' 0 C--N 1.314 -1.275 0 C-N-CA 122.84 2.36 . . . . 0.0 111.956 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 157' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -61.4 126.41 27.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.125 0.488 . . . . 0.0 109.783 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 24.7 mt -109.52 138.62 45.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.506 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -84.16 114.17 21.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.05 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 160' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -57.71 -34.57 69.59 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.19 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 161' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -67.0 -62.69 1.31 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.316 0.579 . . . . 0.0 111.492 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 162' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' B' ' 162' ' ' ASP . 0.7 OUTLIER -62.21 -38.65 89.97 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.796 -179.47 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 15.9 tp -56.87 -43.31 81.09 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 123.427 0.454 . . . . 0.0 110.434 -178.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.06 -34.63 78.08 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.409 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 165' ' ' ALA . . . . . . . . . . . . . . . -61.1 -47.58 85.65 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.204 0.526 . . . . 0.0 111.288 -179.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 166' ' ' GLU . . . . . 0.441 ' OE1' ' ND2' ' A' ' 154' ' ' ASN . 0.0 OUTLIER -68.83 -39.2 80.12 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.115 -179.399 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . 0.444 HD13 ' O ' ' B' ' 167' ' ' LEU . 0.2 OUTLIER -60.97 -53.76 53.3 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.117 -0.633 . . . . 0.0 110.14 -178.478 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 168' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -53.7 -44.65 69.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.075 -178.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -58.2 -47.78 82.41 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.781 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 10.4 tp -57.68 -46.29 84.48 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.384 -178.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -54.37 -42.81 75.52 Favored Glycine 0 CA--C 1.525 0.67 0 C-N-CA 120.461 -0.876 . . . . 0.0 111.102 -179.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 172' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.0 -47.13 86.18 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.071 0.462 . . . . 0.0 111.226 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -59.94 -51.68 68.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.58 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 174' ' ' LEU . . . . . 0.406 ' N ' HD12 ' B' ' 174' ' ' LEU . 9.0 mp -63.4 -34.27 77.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.274 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 4.9 tt -61.7 -32.1 72.28 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.699 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.965 -179.791 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 182' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 . . . . . 0 C--O 1.236 0.359 0 CA-C-O 120.835 0.35 . . . . 0.0 110.505 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 183' ' ' LEU . . . . . 0.626 ' O ' HD23 ' B' ' 183' ' ' LEU . 2.0 tt -60.38 -45.09 94.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.132 0.491 . . . . 0.0 109.962 -179.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 184' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -67.19 -27.11 66.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.832 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -63.89 -54.17 39.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.476 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 186' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.069 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.519 HD12 ' N ' ' A' ' 4' ' ' LEU . 10.1 mp . . . . . 0 CA--C 1.515 -0.399 0 CA-C-O 121.203 0.525 . . . . 0.0 110.501 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.39 150.69 32.13 Favored Pre-proline 0 N--CA 1.445 -0.692 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.03 -178.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_exo -59.46 148.45 86.88 Favored 'Trans proline' 0 N--CA 1.501 1.954 0 C-N-CA 122.618 2.212 . . . . 0.0 112.647 178.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 19.4 mt -73.27 154.33 90.26 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.637 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -55.22 166.92 2.03 Favored 'Trans proline' 0 N--CA 1.493 1.494 0 C-N-CA 122.526 2.151 . . . . 0.0 112.283 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -40.54 125.65 2.04 Favored 'Trans proline' 0 C--N 1.312 -1.36 0 C-N-CA 122.445 2.097 . . . . 0.0 111.749 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.8 tt -93.33 113.76 60.97 Favored Pre-proline 0 CA--C 1.543 0.696 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.742 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -76.77 161.5 33.47 Favored 'Trans proline' 0 N--CA 1.494 1.517 0 C-N-CA 122.639 2.226 . . . . 0.0 112.304 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.74 -21.35 62.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.329 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -54.57 -42.06 70.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.525 ' HB3' HD11 ' A' ' 17' ' ' ILE . 57.2 m-85 -101.88 43.01 1.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.677 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -82.75 -28.36 30.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.89 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 83.5 p -70.01 -12.71 61.81 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.624 -179.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.525 HD11 ' HB3' ' A' ' 14' ' ' PHE . 41.2 pt -114.04 -1.56 9.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.446 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -56.35 -41.01 75.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.709 -179.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.5 m80 -58.87 -36.98 75.52 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.581 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -67.9 -45.42 74.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.385 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 63.0 mt -62.2 -41.29 98.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.64 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -68.98 -45.19 71.27 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.944 0.402 . . . . 0.0 111.063 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.8 m -62.66 -43.29 99.19 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.67 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 28' ' ' ASP . . . -63.55 -47.89 79.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.087 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 72.3 mm-40 -53.53 -41.27 66.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 0.0 110.777 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -68.82 -55.57 10.76 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.255 0.55 . . . . 0.0 110.113 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.489 ' O ' ' N ' ' A' ' 31' ' ' ASP . 0.9 OUTLIER -66.59 -18.67 65.49 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.98 -179.18 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 24' ' ' ALA . 41.4 t0 -57.77 -35.87 71.36 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.115 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 52.3 tttm -70.68 -39.36 73.57 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.334 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -83.59 -58.25 2.89 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 27' ' ' HIS . 53.7 m-20 -121.55 101.39 43.36 Favored Pre-proline 0 CA--C 1.543 0.68 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.168 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -72.31 -25.25 18.75 Favored 'Trans proline' 0 N--CA 1.492 1.384 0 C-N-CA 122.182 1.921 . . . . 0.0 111.702 -179.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 62.2 t -64.3 -48.31 85.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.025 0.44 . . . . 0.0 110.656 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 97.3 t -64.71 -44.07 96.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.714 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.56 -36.7 83.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.524 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -58.89 -50.83 72.53 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.071 0.462 . . . . 0.0 110.014 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -68.86 -37.29 79.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.491 179.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 5.6 t -58.57 -48.39 81.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.478 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.46 -41.52 97.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.978 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 tp -57.64 -44.48 85.63 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.178 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -58.31 -43.68 88.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.219 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.15 -51.03 71.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.538 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 44.1 ttp -55.95 -45.85 78.73 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 121.084 0.469 . . . . 0.0 110.305 -178.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -63.27 -47.47 82.25 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.757 0.789 . . . . 0.0 110.917 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.8 m -68.46 -23.02 64.54 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.334 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -67.77 -48.37 55.85 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.482 ' HG3' ' N ' ' A' ' 48' ' ' LYS . 2.2 ptt? -65.17 -35.64 81.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.04 0.448 . . . . 0.0 110.216 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.482 ' N ' ' HG3' ' A' ' 47' ' ' MET . 51.0 mttp -65.31 -43.51 90.82 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.576 -179.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 79.0 mt -69.51 -48.24 67.54 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.137 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.431 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.482 ' OD2' ' SG ' ' A' ' 56' ' ' CYS . 0.3 OUTLIER -67.92 176.84 2.39 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 121.142 0.496 . . . . 0.0 110.04 -178.762 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.3 t -136.0 49.21 2.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.763 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 49.3 tttp 59.31 89.55 0.06 Allowed 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.436 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -143.6 150.86 52.27 Favored Pre-proline 0 CA--C 1.533 0.318 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.529 179.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -45.42 -43.46 17.43 Favored 'Trans proline' 0 C--N 1.313 -1.296 0 C-N-CA 122.254 1.97 . . . . 0.0 112.431 179.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 21.4 mp0 -59.68 -55.86 29.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.604 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.553 ' SG ' HD13 ' A' ' 60' ' ' LEU . 46.6 t -61.76 -33.63 74.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.469 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -58.39 -49.63 76.58 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.775 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.444 ' O ' ' OG ' ' A' ' 61' ' ' SER . 63.0 mttp -69.15 -40.87 77.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.178 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -61.75 -49.82 74.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.332 -178.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.553 HD13 ' SG ' ' A' ' 56' ' ' CYS . 7.4 mp -64.17 -40.38 95.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.358 179.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.444 ' OG ' ' O ' ' A' ' 58' ' ' LYS . 80.6 p -58.97 -44.52 91.54 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.496 -0.482 . . . . 0.0 110.374 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -68.1 -44.34 76.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.993 0.425 . . . . 0.0 110.679 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 33.6 tp -62.6 -41.47 98.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.334 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.44 ' C ' ' SD ' ' A' ' 64' ' ' MET . 14.4 tmm? -62.66 -40.25 96.47 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.666 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -62.12 -40.94 97.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.577 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -63.16 -38.52 91.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.372 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mt -61.26 -43.63 98.56 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.586 -0.445 . . . . 0.0 110.457 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -66.13 -40.53 90.72 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.197 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.96 -43.35 88.2 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.301 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.501 HD13 ' O ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -57.79 -43.8 85.83 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.264 -0.574 . . . . 0.0 109.601 -178.068 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -61.49 -39.82 92.34 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.685 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.1 tptt -65.53 -38.74 90.53 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.857 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -58.66 -47.8 83.23 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.563 -179.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.421 HD13 HD22 ' A' ' 77' ' ' ASN . 54.7 mt -67.1 -30.18 70.14 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.409 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.98 -84.49 0.69 Allowed Glycine 0 CA--C 1.518 0.219 0 N-CA-C 111.63 -0.588 . . . . 0.0 111.63 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -117.65 97.61 5.95 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.907 0.385 . . . . 0.0 111.443 -179.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.421 HD22 HD13 ' A' ' 74' ' ' LEU . 48.1 t-20 -129.26 117.97 21.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.987 -0.552 . . . . 0.0 109.902 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.532 ' H ' ' CD ' ' A' ' 78' ' ' GLU . 40.6 mp0 -62.46 -45.49 92.82 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.651 -178.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.406 ' HA ' HG13 ' A' ' 85' ' ' VAL . . . -56.6 -24.8 50.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.386 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 39.4 mm -98.98 -48.24 12.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.658 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 34.5 p -62.05 -31.64 72.07 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.858 -179.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -125.76 117.33 23.2 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.24 0.543 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -64.56 -24.97 67.78 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.395 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 58.3 mt -53.15 -58.63 2.63 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-O 121.095 0.474 . . . . 0.0 110.707 -179.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.429 ' H ' HG12 ' A' ' 85' ' ' VAL . 1.7 p -73.32 -32.05 36.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.23 179.196 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.593 ' O ' ' ND1' ' A' ' 89' ' ' HIS . . . -61.07 -38.1 94.99 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.344 -1.103 . . . . 0.0 110.344 -179.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 20.8 t -72.66 -49.27 32.8 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.026 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.14 -49.28 64.02 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.629 -179.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.593 ' ND1' ' O ' ' A' ' 86' ' ' GLY . 0.1 OUTLIER -59.88 -45.77 91.45 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.163 0.506 . . . . 0.0 110.019 179.602 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.515 ' N ' ' CG ' ' A' ' 89' ' ' HIS . 0.7 OUTLIER -58.81 -43.38 90.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.25 -178.77 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.47 -44.13 95.35 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.263 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -64.47 -43.22 94.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -62.15 -47.68 83.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.65 -41.77 83.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.0 tp -61.66 -44.05 97.7 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.459 -179.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -64.89 -39.59 93.76 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.769 -179.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 36.0 ttm -64.79 -47.51 77.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.693 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -58.06 -47.54 82.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.511 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.453 ' O ' ' ND2' ' A' ' 103' ' ' ASN . 3.6 mm? -61.36 -40.09 93.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.837 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.421 ' CE2' ' OE2' ' A' ' 104' ' ' GLU . 37.8 t80 -53.65 -49.04 68.79 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 120.326 -0.55 . . . . 0.0 110.048 -179.223 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.412 ' HB1' ' CE2' ' A' ' 118' ' ' PHE . . . -69.54 -41.75 75.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.155 0.502 . . . . 0.0 110.865 179.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -63.84 -36.46 83.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.484 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 99' ' ' LEU . 88.3 m-20 -65.41 -43.58 90.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.561 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.421 ' OE2' ' CE2' ' A' ' 100' ' ' TYR . 39.5 mt-10 -66.79 -38.37 86.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.598 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -60.07 -48.7 80.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.143 0.497 . . . . 0.0 110.769 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -61.58 -41.63 97.69 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.35 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.33 -4.94 2.95 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.368 -179.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 77.5 32.93 45.08 Favored Glycine 0 C--N 1.331 0.257 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 -111.22 107.9 17.36 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.739 0.304 . . . . 0.0 110.786 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.508 ' O ' ' CG ' ' A' ' 111' ' ' HIS . 30.3 m-85 -102.98 134.93 45.59 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.528 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.508 ' CG ' ' O ' ' A' ' 110' ' ' PHE . 32.3 m-70 -163.56 151.05 12.69 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 121.199 0.523 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 54.6 pttt -58.19 -26.9 63.35 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.119 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -64.08 -41.63 97.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.619 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 5.1 ptm -63.01 -37.63 87.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.999 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 88.7 mt -61.61 -45.01 99.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.93 -178.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -62.13 -40.28 95.39 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.762 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 52.1 m -60.46 -45.28 94.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.412 ' CE2' ' HB1' ' A' ' 101' ' ' ALA . 10.7 m-85 -61.13 -48.46 81.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.99 0.424 . . . . 0.0 110.368 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -61.56 -51.59 67.95 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 120.243 -0.583 . . . . 0.0 109.934 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 14.1 m -58.36 -39.89 80.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.08 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -57.28 -38.69 74.31 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.276 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 10.4 p -63.61 -41.75 98.28 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.564 0.697 . . . . 0.0 110.178 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 34.5 mt -61.18 -40.11 92.66 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.221 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 94.3 mt -63.13 -41.99 99.41 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.63 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 73.3 mt -57.78 -43.04 83.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 C-N-CA 120.211 -0.595 . . . . 0.0 110.195 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.42 ' O ' ' OG1' ' A' ' 129' ' ' THR . 79.8 m-20 -60.78 -39.81 90.22 Favored 'General case' 0 C--O 1.243 0.727 0 CA-C-O 121.725 0.774 . . . . 0.0 109.486 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.645 ' O ' HG22 ' A' ' 130' ' ' VAL . 53.4 t -58.74 -32.66 47.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.372 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 60.6 mt -73.95 -43.23 52.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.147 0.498 . . . . 0.0 110.753 178.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.507 HG22 HD13 ' A' ' 134' ' ' LEU . 77.6 p -51.74 -36.93 49.03 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.592 -177.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.645 HG22 ' O ' ' A' ' 127' ' ' VAL . 3.6 m -41.58 -32.21 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.924 179.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -65.24 -40.14 93.64 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.532 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 129' ' ' THR . . . 96.79 -46.73 1.73 Allowed Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 23.6 mp0 -79.19 63.02 3.72 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 120.748 0.309 . . . . 0.0 111.163 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.681 ' O ' HD23 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -112.44 145.83 39.47 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 121.676 0.75 . . . . 0.0 110.297 179.449 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.402 ' H ' HG22 ' A' ' 135' ' ' THR . 2.8 t -75.33 147.73 39.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.132 178.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . 0.535 ' O ' HG22 ' A' ' 139' ' ' VAL . 31.9 t70 -59.73 -38.85 82.83 Favored 'General case' 0 C--O 1.216 -0.681 0 CA-C-O 121.667 0.746 . . . . 0.0 110.35 179.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 136' ' ' ASP . 44.7 mm-40 -45.34 -33.56 2.55 Favored 'General case' 0 C--N 1.307 -1.255 0 O-C-N 120.997 -1.064 . . . . 0.0 111.257 179.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -67.63 -52.65 35.77 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 120.996 0.427 . . . . 0.0 111.76 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . 0.577 HG13 HD21 ' A' ' 134' ' ' LEU . 2.1 m -60.53 -32.37 51.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.413 0.625 . . . . 0.0 110.28 -179.263 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -63.91 -48.78 75.24 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.241 0.543 . . . . 0.0 110.3 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -60.16 -32.88 71.46 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.053 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -43.91 97.25 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.054 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -60.01 -41.19 91.62 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -69.94 -41.45 74.54 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.304 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -58.92 -39.98 83.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.913 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -65.74 -46.4 79.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.641 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 11.8 t90 -62.74 -47.26 84.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.419 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt -63.21 -36.89 85.15 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.764 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -58.37 -49.98 75.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.945 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 48.9 p -72.52 -39.17 67.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.583 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -58.75 -46.09 88.24 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.443 -179.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 91.6 mt -67.46 -42.98 87.73 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 CA-C-O 121.405 0.621 . . . . 0.0 110.955 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -62.18 -51.21 68.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.022 -178.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -64.21 -27.91 69.39 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.721 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 3.2 m -62.18 -56.44 18.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.836 0.35 . . . . 0.0 111.599 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.479 ' HG ' ' N ' ' A' ' 157' ' ' LYS . 1.7 pp -67.45 -34.14 76.58 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 120.441 -0.504 . . . . 0.0 111.663 -179.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.479 ' N ' ' HG ' ' A' ' 156' ' ' LEU . 48.7 mtmt -65.38 -39.82 92.73 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.119 -179.464 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -72.84 -10.18 59.51 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.518 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 84.89 36.41 11.47 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 110.534 -1.027 . . . . 0.0 110.534 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -138.64 122.38 17.57 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 120.958 0.409 . . . . 0.0 110.574 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 5.1 t -55.01 137.61 66.04 Favored Pre-proline 0 CA--C 1.541 0.597 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.985 -178.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -75.2 150.8 37.84 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 122.496 2.131 . . . . 0.0 111.71 179.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.311 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.22 0 N-CA-C 110.681 -0.968 . . . . 0.0 110.681 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -141.17 151.55 62.14 Favored Pre-proline 0 CA--C 1.535 0.4 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.147 179.372 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_exo -54.24 -168.35 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.587 0 C-N-CA 122.321 2.014 . . . . 0.0 111.784 178.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 157' ' ' GLU . . . . . 0.442 ' CD ' ' N ' ' B' ' 157' ' ' GLU . 3.2 mp0 -100.82 118.67 37.36 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.334 179.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 4.1 mp -133.6 144.76 49.48 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.817 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -83.46 132.54 34.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.732 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 160' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -60.28 -42.52 95.61 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.279 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 161' ' ' ASP . . . . . 0.455 ' O ' ' HG3' ' B' ' 164' ' ' GLU . 5.5 t70 -64.74 -54.14 36.12 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.416 0.627 . . . . 0.0 110.675 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 162' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -60.27 -32.3 71.04 Favored 'General case' 0 C--N 1.315 -0.93 0 O-C-N 121.507 -0.745 . . . . 0.0 110.146 -179.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 41.2 tp -60.96 -43.06 99.29 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.535 -178.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 164' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' B' ' 161' ' ' ASP . 0.0 OUTLIER -67.56 -31.72 71.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.619 179.735 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 165' ' ' ALA . . . . . . . . . . . . . . . -60.88 -50.45 73.38 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.424 -178.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -40.38 85.85 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.946 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.26 -53.83 52.97 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 119.547 -0.861 . . . . 0.0 110.423 -177.363 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 168' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -53.23 -44.69 68.27 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -55.99 -49.47 73.54 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.929 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 5.8 tp -55.05 -47.22 75.08 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.267 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -55.43 -45.29 84.27 Favored Glycine 0 CA--C 1.525 0.67 0 C-N-CA 120.491 -0.861 . . . . 0.0 110.982 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 172' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -59.36 -44.15 92.73 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.514 0.673 . . . . 0.0 110.218 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -58.92 -55.55 33.75 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.459 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 8.7 mp -58.84 -35.76 73.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.346 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 24.8 tp -55.07 -43.05 73.54 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 120.288 -0.565 . . . . 0.0 109.703 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.575 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.37 -178.729 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 182' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 120.584 0.231 . . . . 0.0 110.57 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 183' ' ' LEU . . . . . . . . . . . . . 14.2 mt -58.71 -41.6 86.72 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.589 -0.445 . . . . 0.0 110.234 -178.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 184' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -64.58 -32.7 74.46 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -61.21 -60.31 3.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.525 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 186' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.428 -178.914 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.515 HD22 ' N ' ' A' ' 4' ' ' LEU . 3.7 mm? . . . . . 0 CA--C 1.516 -0.364 0 CA-C-O 121.198 0.523 . . . . 0.0 110.641 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.25 166.87 34.52 Favored Pre-proline 0 N--CA 1.447 -0.61 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.108 -178.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -62.31 153.09 72.66 Favored 'Trans proline' 0 N--CA 1.495 1.588 0 C-N-CA 122.852 2.368 . . . . 0.0 112.075 179.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.7 mt -99.38 148.12 34.24 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.405 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -54.55 173.86 0.22 Allowed 'Trans proline' 0 N--CA 1.495 1.583 0 C-N-CA 122.705 2.27 . . . . 0.0 111.982 178.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -47.24 162.1 0.21 Allowed 'Trans proline' 0 C--N 1.313 -1.295 0 C-N-CA 122.725 2.284 . . . . 0.0 111.488 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -107.31 100.66 34.63 Favored Pre-proline 0 CA--C 1.542 0.638 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.449 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -53.79 145.32 50.63 Favored 'Trans proline' 0 N--CA 1.495 1.61 0 C-N-CA 122.595 2.197 . . . . 0.0 111.958 178.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.92 -30.17 68.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.011 0.434 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.439 ' OE1' ' N ' ' A' ' 13' ' ' GLN . 4.3 mp0 -58.08 -38.47 76.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.882 0.372 . . . . 0.0 110.7 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.581 ' HB3' HD11 ' A' ' 17' ' ' ILE . 11.8 m-85 -95.72 33.6 1.63 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.048 0.452 . . . . 0.0 110.911 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -80.98 -30.8 34.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.562 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.0 t -69.85 -12.66 61.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.661 0.267 . . . . 0.0 111.095 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.581 HD11 ' HB3' ' A' ' 14' ' ' PHE . 47.6 pt -112.39 3.4 8.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-O 121.007 0.432 . . . . 0.0 110.479 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -56.96 -37.07 71.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.942 -179.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.418 ' HE2' ' C ' ' B' ' 171' ' ' GLY . 77.2 m80 -58.99 -38.71 79.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.558 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 55.1 m80 -65.81 -42.45 90.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.779 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 50.0 mt -62.83 -45.7 91.38 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.066 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.1 mmm-85 -64.0 -41.13 97.59 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.182 0.515 . . . . 0.0 110.202 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 34.2 m -60.97 -44.26 97.58 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.981 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.11 -38.85 89.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.534 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -54.44 -41.11 69.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.266 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -78.5 -51.25 10.24 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.367 0.603 . . . . 0.0 110.663 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.507 ' O ' ' N ' ' A' ' 31' ' ' ASP . 45.8 m80 -57.86 -23.94 55.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.864 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.74 -46.48 64.06 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.38 -179.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -79.79 -46.75 16.38 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.752 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -65.67 -59.22 4.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.06 -179.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 27' ' ' HIS . 1.2 m-20 -137.74 112.9 9.12 Favored Pre-proline 0 CA--C 1.538 0.51 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.111 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -71.08 -29.12 18.17 Favored 'Trans proline' 0 N--CA 1.492 1.386 0 C-N-CA 122.236 1.957 . . . . 0.0 112.168 -179.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 97.4 t -61.4 -47.25 94.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.616 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 95.2 t -67.43 -45.99 84.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.265 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.09 -40.85 95.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.745 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.547 ' N ' HH21 ' A' ' 39' ' ' ARG . 90.4 t80 -60.48 -50.97 71.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.026 0.441 . . . . 0.0 110.447 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -64.92 -40.9 95.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.347 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 44.5 t -55.34 -45.32 76.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.955 0.407 . . . . 0.0 110.299 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.547 HH21 ' N ' ' A' ' 36' ' ' TYR . 68.9 mtm180 -61.23 -41.11 96.31 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.034 179.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.1 tp -55.52 -45.41 77.12 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.473 ' CD1' ' C ' ' A' ' 41' ' ' TYR . 15.0 t80 -57.73 -46.48 84.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.267 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.76 -48.53 79.39 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 123.772 0.67 . . . . 0.0 111.035 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 48.0 ttp -60.95 -41.3 96.03 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 120.829 0.347 . . . . 0.0 110.875 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -59.12 -48.86 80.07 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.08 0.467 . . . . 0.0 111.472 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.8 t -73.4 -36.57 66.05 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.651 -0.419 . . . . 0.0 110.95 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -57.93 -54.87 33.99 Favored Glycine 0 CA--C 1.528 0.86 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.553 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -61.62 -37.72 85.01 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.31 -44.94 88.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.007 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.503 ' O ' ' O ' ' A' ' 50' ' ' ASP . 48.2 mt -84.03 -85.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.197 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.503 ' O ' ' O ' ' A' ' 49' ' ' ILE . 15.4 t70 55.17 135.78 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.206 0 O-C-N 123.772 0.67 . . . . 0.0 111.024 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.21 9.32 42.94 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 120.814 0.34 . . . . 0.0 110.258 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.3 mttt 56.11 67.67 0.97 Allowed 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.432 -179.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.519 HG23 ' H ' ' A' ' 56' ' ' CYS . 1.2 t -145.77 151.21 45.45 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.054 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -57.06 -35.49 98.94 Favored 'Trans proline' 0 N--CA 1.495 1.575 0 C-N-CA 122.431 2.088 . . . . 0.0 112.612 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -65.74 -52.77 48.46 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.35 0.595 . . . . 0.0 110.724 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.519 ' H ' HG23 ' A' ' 53' ' ' THR . 75.2 m -66.92 -40.03 87.52 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.388 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -57.36 -43.34 83.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.05 0.452 . . . . 0.0 110.526 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.7 tptt -62.99 -40.59 98.22 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.39 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -59.13 -44.38 92.02 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.227 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.12 -42.41 98.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.367 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.4 t -58.67 -46.27 87.57 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.704 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.8 mmtm -66.87 -40.86 87.96 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.292 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 33.0 tp -61.8 -47.04 86.92 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.897 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 49.3 ttm -67.34 -35.48 79.47 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.156 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -60.4 -42.77 96.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.93 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -65.46 -45.1 85.07 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.905 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.2 mt -54.01 -48.43 70.46 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.981 -178.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -63.37 -48.75 76.61 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.361 -0.536 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.56 -40.81 88.52 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.483 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.72 -44.93 96.01 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.742 -179.007 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -61.51 -42.18 98.41 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.112 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.71 -39.19 90.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.453 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -58.29 -46.83 85.37 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.45 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.4 mt -72.07 -30.02 64.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.584 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 92.37 -81.54 1.16 Allowed Glycine 0 N--CA 1.458 0.137 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.482 ' O ' ' O ' ' A' ' 77' ' ' ASN . 0.2 OUTLIER -127.36 -59.16 1.24 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.596 0.236 . . . . 0.0 111.017 -179.471 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.482 ' O ' ' O ' ' A' ' 76' ' ' ASP . 47.3 t-20 46.27 105.63 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.802 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.642 ' CD ' ' H ' ' A' ' 78' ' ' GLU . 3.2 mp0 -42.17 -41.35 2.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.977 0.418 . . . . 0.0 110.709 -179.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.67 -36.49 74.26 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.481 HD12 ' CD2' ' A' ' 36' ' ' TYR . 44.2 mm -88.42 -48.68 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.583 179.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.0 -54.55 10.83 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.942 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 78' ' ' GLU . 66.6 mt-30 -90.73 98.55 11.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.145 0.498 . . . . 0.0 110.356 -179.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.616 ' CD ' ' H ' ' A' ' 83' ' ' GLU . 2.0 pm0 -61.34 -21.26 63.85 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.088 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 7.4 mm -58.88 -52.44 60.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.966 0.412 . . . . 0.0 110.937 -178.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.5 m -72.54 -33.2 44.32 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -60.11 -40.33 97.01 Favored Glycine 0 C--N 1.335 0.511 0 N-CA-C 110.141 -1.184 . . . . 0.0 110.141 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.596 ' SG ' ' CZ ' ' A' ' 131' ' ' PHE . 89.5 m -65.69 -48.69 71.21 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 178.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.78 -36.55 74.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.368 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -64.23 -45.4 88.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.383 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.7 mt -62.01 -41.39 98.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.512 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -63.64 -46.19 86.76 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.211 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 -64.59 -45.27 87.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.497 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -62.82 -49.59 74.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.373 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.87 -41.07 97.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.147 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.9 tt -64.43 -41.25 96.69 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.722 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.542 ' NZ ' ' O ' ' B' ' 186' ' ' ALA . 25.3 ttpp -60.02 -44.81 94.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.591 -179.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 47.7 ttm -67.39 -43.88 80.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.595 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -60.41 -50.82 72.06 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -59.77 -41.82 91.9 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 120.831 0.348 . . . . 0.0 110.695 -179.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.553 ' O ' ' ND2' ' A' ' 103' ' ' ASN . 30.0 t80 -57.25 -50.41 72.98 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-O 121.211 0.529 . . . . 0.0 110.391 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.1 -39.13 79.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.108 0.48 . . . . 0.0 111.129 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.27 -42.66 99.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.314 -179.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.553 ' ND2' ' O ' ' A' ' 100' ' ' TYR . 0.4 OUTLIER -61.96 -45.84 91.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.262 0.553 . . . . 0.0 110.119 -179.874 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.412 ' N ' ' CG ' ' A' ' 103' ' ' ASN . 92.8 mt-10 -61.56 -34.16 75.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.759 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.519 ' OD2' ' NZ ' ' A' ' 148' ' ' LYS . 32.1 t0 -62.22 -56.42 18.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.18 -29.87 70.23 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.91 0.386 . . . . 0.0 110.708 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.89 -12.04 33.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.308 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 83.04 23.07 56.33 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.129 -0.789 . . . . 0.0 111.129 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -117.78 101.29 8.2 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 120.926 0.393 . . . . 0.0 110.108 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.585 ' CD1' ' N ' ' A' ' 110' ' ' PHE . 0.7 OUTLIER -110.42 142.45 42.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.614 -179.668 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.524 ' CD2' ' O ' ' A' ' 110' ' ' PHE . 32.1 m80 -159.24 168.08 27.38 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.437 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -57.37 -37.05 72.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.283 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -64.99 -39.92 94.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.428 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 4.4 tmm? -56.8 -48.92 76.85 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.242 0.544 . . . . 0.0 109.906 -179.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 65.2 mt -61.38 -38.33 79.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.863 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -62.0 -37.74 85.98 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.608 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 23.1 t -61.86 -44.83 96.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.883 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -61.93 -45.39 93.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.895 0.379 . . . . 0.0 110.729 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -60.21 -48.51 81.44 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.36 0.6 . . . . 0.0 109.966 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 96.6 m -59.52 -42.35 92.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.035 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -53.94 -41.04 67.31 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 35.1 p -61.8 -40.51 95.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.303 0.573 . . . . 0.0 110.378 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 82.6 mt -62.23 -41.22 98.21 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.552 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.54 -39.33 94.13 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.293 0.568 . . . . 0.0 110.494 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 90.3 mt -60.12 -42.81 91.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 C-N-CA 120.227 -0.589 . . . . 0.0 109.613 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.578 ' O ' ' OG1' ' A' ' 129' ' ' THR . 0.8 OUTLIER -61.37 -39.86 92.18 Favored 'General case' 0 C--O 1.243 0.758 0 CA-C-O 122.077 0.941 . . . . 0.0 109.039 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.723 ' O ' HG22 ' A' ' 130' ' ' VAL . 57.0 t -57.55 -34.99 48.43 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.548 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 179.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 80.9 mt -71.56 -44.31 70.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.409 0.624 . . . . 0.0 110.783 178.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.578 ' OG1' ' O ' ' A' ' 126' ' ' ASP . 37.3 p -49.29 -36.2 20.15 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.047 0.451 . . . . 0.0 110.505 -178.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.723 HG22 ' O ' ' A' ' 127' ' ' VAL . 3.0 m -46.61 -15.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 C-N-CA 120.135 -0.626 . . . . 0.0 110.906 179.174 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.596 ' CZ ' ' SG ' ' A' ' 87' ' ' CYS . 25.2 m-85 -78.71 22.41 0.36 Allowed 'General case' 0 CA--C 1.513 -0.462 0 CA-C-O 120.805 0.335 . . . . 0.0 110.112 -178.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.418 ' H ' ' C ' ' A' ' 130' ' ' VAL . . . 87.35 -82.13 1.62 Allowed Glycine 0 CA--C 1.521 0.428 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.568 178.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -131.61 160.88 34.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.17 0.509 . . . . 0.0 110.503 -179.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.544 HD21 HG22 ' A' ' 129' ' ' THR . 0.3 OUTLIER -144.62 179.88 7.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.661 -179.563 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 7.2 t -83.0 153.23 25.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.35 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -58.57 -27.45 64.62 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.988 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -55.97 -47.04 78.4 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.308 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 47.2 m-20 -61.83 -60.78 3.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.075 0.464 . . . . 0.0 111.73 -178.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 23.1 m -51.52 -35.95 17.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.662 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -60.75 -46.99 88.3 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.602 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -61.9 -35.58 78.8 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.81 -44.75 93.84 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.356 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 16.8 ttmt -61.14 -43.94 98.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.323 -178.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -71.55 -36.12 70.85 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.287 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -60.87 -48.47 81.67 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.784 -179.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . 0.483 ' HG3' ' N ' ' A' ' 147' ' ' TRP . 9.8 ptp180 -71.05 -40.5 71.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.257 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' TRP . . . . . 0.483 ' N ' ' HG3' ' A' ' 146' ' ' ARG . 25.2 t90 -58.2 -52.32 66.06 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 120.947 0.403 . . . . 0.0 110.67 -178.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . 0.519 ' NZ ' ' OD2' ' A' ' 105' ' ' ASP . 26.8 tttm -62.02 -36.77 82.55 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.39 -179.392 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -52.69 -50.3 63.57 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.137 0.494 . . . . 0.0 110.254 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 22.2 p -70.81 -42.6 70.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.342 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -51.02 -50.17 59.06 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.503 -179.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.64 -42.69 95.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.194 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -64.63 -38.06 89.71 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.606 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -61.93 -42.32 98.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.375 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 91.5 m -66.49 -34.38 77.79 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.669 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.616 ' O ' HD23 ' A' ' 156' ' ' LEU . 4.0 tt -58.22 -50.26 74.17 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-O 121.258 0.552 . . . . 0.0 110.021 -179.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -63.61 -39.7 95.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.143 0.497 . . . . 0.0 110.669 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -69.74 -21.73 63.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.903 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 78.68 52.11 5.21 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -130.45 135.42 47.97 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 121.102 0.477 . . . . 0.0 111.069 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 6.6 m -56.1 129.33 73.16 Favored Pre-proline 0 CA--C 1.538 0.514 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.142 -178.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -63.9 142.36 81.7 Favored 'Trans proline' 0 N--CA 1.496 1.672 0 C-N-CA 122.301 2.0 . . . . 0.0 112.179 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 . . . . . 0 N--CA 1.462 0.155 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.33 179.866 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.23 0 N-CA-C 110.284 -1.126 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 1.2 p -123.94 151.62 65.21 Favored Pre-proline 0 CA--C 1.535 0.37 0 CA-C-O 120.623 0.249 . . . . 0.0 110.552 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.22 -171.77 0.65 Allowed 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 122.877 2.384 . . . . 0.0 111.815 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 157' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -82.23 100.0 9.62 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.041 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 12.5 mt -110.97 130.81 55.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.884 0.373 . . . . 0.0 110.691 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -68.23 135.16 51.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.16 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 160' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -66.23 -33.19 75.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 161' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.92 -49.47 70.28 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.108 0.48 . . . . 0.0 110.545 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 162' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -63.4 -41.08 98.73 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.611 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 12.8 mt -56.58 -48.09 78.13 Favored 'General case' 0 C--O 1.232 0.149 0 O-C-N 123.354 0.409 . . . . 0.0 111.247 -178.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -63.64 -35.31 80.12 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.317 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 165' ' ' ALA . . . . . . . . . . . . . . . -60.3 -46.92 88.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.116 0.484 . . . . 0.0 111.621 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.88 -45.36 71.2 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.538 -179.106 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.89 -58.28 9.34 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.115 0.483 . . . . 0.0 110.617 -178.161 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 168' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -52.14 -46.23 65.32 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.043 -178.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -58.54 -47.28 84.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.526 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 170' ' ' LEU . . . . . 0.448 ' HG ' HD13 ' B' ' 174' ' ' LEU . 53.8 tp -58.98 -44.3 91.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.161 -179.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 171' ' ' GLY . . . . . 0.418 ' C ' ' HE2' ' A' ' 19' ' ' HIS . . . -54.54 -44.21 78.22 Favored Glycine 0 CA--C 1.525 0.672 0 C-N-CA 120.498 -0.858 . . . . 0.0 111.075 -179.121 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 172' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -61.67 -42.7 99.28 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.195 0.521 . . . . 0.0 110.471 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -67.4 -38.35 84.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.125 0.488 . . . . 0.0 110.814 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 174' ' ' LEU . . . . . 0.448 HD13 ' HG ' ' B' ' 170' ' ' LEU . 3.9 mp -63.84 -41.3 97.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.677 -179.028 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 175' ' ' LEU . . . . . 0.688 ' O ' HD12 ' B' ' 175' ' ' LEU . 1.2 pp -87.62 -11.1 49.53 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.973 -179.278 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.248 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.462 -179.696 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 182' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 . . . . . 0 CA--C 1.521 -0.136 0 CA-C-O 120.599 0.238 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 183' ' ' LEU . . . . . . . . . . . . . 45.7 tp -60.29 -46.38 90.07 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 120.219 -0.593 . . . . 0.0 110.054 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 184' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -67.53 -28.17 67.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.086 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.02 -55.81 7.5 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.688 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 186' ' ' ALA . . . . . 0.542 ' O ' ' NZ ' ' A' ' 96' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.46 0 CA-C-O 120.844 0.354 . . . . 0.0 110.995 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.562 HD11 HD23 ' A' ' 70' ' ' LEU . 78.4 mt . . . . . 0 N--CA 1.463 0.207 0 CA-C-O 121.036 0.446 . . . . 0.0 110.505 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.83 156.04 74.61 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.537 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.2 143.99 45.4 Favored 'Trans proline' 0 N--CA 1.493 1.472 0 C-N-CA 122.734 2.289 . . . . 0.0 111.404 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.7 mt -93.37 146.79 32.51 Favored Pre-proline 0 C--N 1.329 -0.322 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.625 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -69.76 164.86 32.96 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 122.359 2.039 . . . . 0.0 112.372 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -52.41 128.32 27.3 Favored 'Trans proline' 0 N--CA 1.492 1.4 0 C-N-CA 122.691 2.261 . . . . 0.0 110.691 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 pp -90.09 131.55 38.67 Favored Pre-proline 0 CA--C 1.538 0.488 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.14 -179.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -47.58 153.35 2.19 Favored 'Trans proline' 0 N--CA 1.501 1.966 0 C-N-CA 122.362 2.041 . . . . 0.0 112.525 178.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.82 -23.06 28.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.669 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -62.23 -28.56 69.78 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.835 0.35 . . . . 0.0 110.651 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.482 ' HB3' HD11 ' A' ' 17' ' ' ILE . 20.5 m-30 -100.25 15.62 26.99 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.265 0.555 . . . . 0.0 110.869 -179.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.9 pttm -58.29 -26.78 63.39 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.58 178.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.8 t -68.67 -48.49 63.83 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.447 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.482 HD11 ' HB3' ' A' ' 14' ' ' PHE . 41.1 pt -76.61 -11.54 13.88 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.243 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.282 -179.375 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -50.89 -44.98 59.95 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.358 -179.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.422 ' CD2' ' N ' ' A' ' 19' ' ' HIS . 8.0 m170 -65.01 -40.84 95.49 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.771 -0.371 . . . . 0.0 110.175 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.546 ' NE2' ' CG2' ' A' ' 127' ' ' VAL . 2.0 t-80 -62.55 -42.32 99.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.336 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 88.4 mt -63.39 -41.39 98.76 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.59 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.2 tpt85 -61.8 -43.86 98.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.008 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.6 m -60.96 -43.77 98.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.518 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 28' ' ' ASP . . . -55.27 -49.33 72.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.688 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -56.44 -42.85 78.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.503 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.487 ' OE1' ' N ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -66.12 -35.64 81.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.429 179.758 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.428 ' O ' ' N ' ' A' ' 31' ' ' ASP . 7.5 m80 -85.37 -18.61 33.24 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.568 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 24' ' ' ALA . 48.7 t0 -60.61 -43.15 97.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.836 0.35 . . . . 0.0 110.494 -179.478 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.1 ptpp? -68.37 -27.29 66.11 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.563 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -90.66 -64.79 1.08 Allowed 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.11 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 27' ' ' HIS . 41.5 m-20 -125.18 115.24 25.91 Favored Pre-proline 0 CA--C 1.538 0.503 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.139 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -72.48 -29.65 13.26 Favored 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 121.937 1.758 . . . . 0.0 111.997 -179.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 50.9 t -62.32 -46.25 96.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.004 -179.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 87.0 t -64.82 -47.06 90.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.261 179.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.1 -38.78 90.19 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.828 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -56.54 -49.33 75.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.895 0.379 . . . . 0.0 110.165 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -64.38 -38.93 92.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.337 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 66.5 m -58.24 -47.3 83.99 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.877 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.507 HH12 HD23 ' A' ' 70' ' ' LEU . 64.0 mtt180 -59.93 -44.35 94.38 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.438 ' O ' HD23 ' A' ' 40' ' ' LEU . 4.2 tt -60.68 -46.35 90.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.701 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.431 ' CD1' ' C ' ' A' ' 41' ' ' TYR . 2.9 t80 -52.97 -43.51 66.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.979 0.419 . . . . 0.0 110.148 178.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.5 -48.97 78.64 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.644 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.1 ttp -50.16 -63.54 1.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.834 0.35 . . . . 0.0 110.863 -178.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.418 HE22 ' HB ' ' A' ' 130' ' ' VAL . 13.3 pt20 -54.0 -35.46 61.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.607 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 96.3 m -72.05 -40.01 68.66 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.324 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -62.79 -51.8 53.1 Favored Glycine 0 CA--C 1.527 0.784 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.858 -178.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.614 ' SD ' ' N ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -61.26 -37.95 84.95 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.855 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.614 ' N ' ' SD ' ' A' ' 47' ' ' MET . 23.7 tttp -61.62 -43.3 99.11 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.5 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.466 ' O ' ' O ' ' A' ' 50' ' ' ASP . 67.1 mt -75.89 -53.94 14.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.506 -179.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.466 ' O ' ' O ' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -48.16 -176.78 0.0 OUTLIER 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.367 0.603 . . . . 0.0 110.51 -178.576 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.4 m -162.46 58.29 0.22 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.705 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 91.4 mttt 63.34 101.23 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.342 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.448 ' CG2' ' SG ' ' A' ' 56' ' ' CYS . 3.7 t -165.52 146.61 5.99 Favored Pre-proline 0 C--N 1.327 -0.386 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.684 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -59.66 -39.77 70.99 Favored 'Trans proline' 0 N--CA 1.5 1.876 0 C-N-CA 122.291 1.994 . . . . 0.0 112.844 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.99 -58.5 8.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.972 0.415 . . . . 0.0 110.867 -179.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.448 ' SG ' ' CG2' ' A' ' 53' ' ' THR . 58.3 m -63.89 -39.75 94.92 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.704 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.0 ttm-85 -56.85 -45.86 82.15 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.697 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 44.5 tttp -65.43 -43.5 90.27 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.545 179.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -60.03 -46.62 88.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.784 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.433 HD13 ' O ' ' A' ' 56' ' ' CYS . 7.3 mp -64.13 -41.27 97.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.576 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 71.1 m -54.89 -47.21 74.59 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.544 -178.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -68.08 -41.97 81.09 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.689 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 41.7 tp -61.8 -43.8 98.13 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.519 -0.472 . . . . 0.0 110.411 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.438 ' SD ' ' OE2' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -64.71 -41.67 95.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.529 -179.636 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -62.61 -39.96 95.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.696 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -64.19 -39.25 93.59 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.508 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.5 mt -61.17 -42.29 98.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.936 0.398 . . . . 0.0 110.352 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.438 ' OE2' ' SD ' ' A' ' 64' ' ' MET . 96.7 mt-10 -63.75 -48.23 77.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.707 -179.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.78 -44.06 94.1 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.366 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.615 HD13 ' O ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -61.79 -41.85 98.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.235 0.541 . . . . 0.0 109.617 -179.536 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.9 tttt -55.85 -41.2 73.95 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -63.91 -44.44 92.95 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 120.728 0.299 . . . . 0.0 111.627 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -49.89 -55.15 15.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.952 0.406 . . . . 0.0 110.575 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.561 ' O ' ' N ' ' A' ' 76' ' ' ASP . 15.4 mt -66.76 -31.86 72.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.644 -179.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 46.57 -83.96 0.01 OUTLIER Glycine 0 CA--C 1.528 0.889 0 CA-C-N 116.11 -0.496 . . . . 0.0 112.054 178.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.561 ' N ' ' O ' ' A' ' 74' ' ' LEU . 69.3 m-20 -87.49 83.41 7.28 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.8 0.334 . . . . 0.0 111.138 -178.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.406 ' OD1' ' HB3' ' A' ' 79' ' ' ALA . 32.2 t-20 -143.58 119.36 10.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.803 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -72.38 -30.06 64.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.628 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.406 ' HB3' ' OD1' ' A' ' 77' ' ' ASN . . . -62.2 -37.17 84.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.329 -179.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.6 mp -87.47 -50.45 13.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.947 0.403 . . . . 0.0 110.405 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 75.9 p -63.55 -33.57 75.9 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.476 -178.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -121.36 112.73 18.94 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -65.25 -24.32 67.29 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.549 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.5 mt -49.8 -60.85 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.364 -178.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.442 ' H ' HG12 ' A' ' 85' ' ' VAL . 0.4 OUTLIER -72.75 -33.51 44.37 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.913 178.864 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.79 -44.77 96.71 Favored Glycine 0 CA--C 1.521 0.458 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 51.6 t -65.37 -45.84 82.52 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.409 ' O ' ' ND2' ' A' ' 92' ' ' ASN . . . -56.47 -37.94 71.0 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.363 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -45.71 93.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.554 179.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.402 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.1 OUTLIER -61.54 -43.29 99.13 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.508 -177.28 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -58.87 -46.14 88.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.593 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.409 ' ND2' ' O ' ' A' ' 88' ' ' ALA . 76.9 m-20 -63.06 -45.55 91.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.727 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -65.05 -44.79 87.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.948 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.81 -42.41 98.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.685 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 69.0 mt -68.67 -38.8 80.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.742 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.52 ' NZ ' ' O ' ' B' ' 186' ' ' ALA . 11.9 tmtt? -61.82 -43.96 97.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.884 -179.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 11.0 tpp -65.53 -46.45 79.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.881 0.372 . . . . 0.0 110.609 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -57.47 -48.31 79.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.878 -178.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -59.19 -42.41 90.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.599 -179.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -55.25 -49.19 72.65 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.538 -0.465 . . . . 0.0 109.928 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.74 -44.48 70.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.888 0.375 . . . . 0.0 111.058 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -60.14 -40.46 89.88 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.193 -179.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -62.95 -43.95 97.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.475 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -65.77 -27.82 68.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.613 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.528 ' OD2' ' NZ ' ' A' ' 148' ' ' LYS . 18.1 t0 -69.06 -43.63 74.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.826 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -64.32 -38.46 91.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.978 0.418 . . . . 0.0 110.197 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.61 -9.18 8.06 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.283 -178.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 80.55 33.42 31.22 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.523 ' O ' ' SD ' ' A' ' 114' ' ' MET . 40.3 ttm180 -112.98 106.82 15.16 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.751 0.31 . . . . 0.0 110.549 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -108.69 134.14 51.82 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.093 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -157.37 163.44 38.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.386 0.612 . . . . 0.0 110.621 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.441 ' H ' ' HD2' ' A' ' 112' ' ' LYS . 6.0 mptt -64.06 -36.29 83.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.211 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.638 ' ND2' ' CE1' ' B' ' 182' ' ' TYR . 86.6 m-20 -61.06 -41.41 96.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.26 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.523 ' SD ' ' O ' ' A' ' 109' ' ' ARG . 19.1 mtp -62.88 -40.33 97.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.163 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 90.2 mt -59.45 -42.54 88.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 C-N-CA 120.333 -0.547 . . . . 0.0 109.904 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.497 ' HG3' HD21 ' B' ' 174' ' ' LEU . 82.2 tttt -63.88 -35.67 81.41 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.614 179.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 34.9 m -60.78 -45.15 95.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.782 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -61.66 -44.85 96.18 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.029 0.443 . . . . 0.0 110.329 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -56.92 -46.84 81.72 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.334 0.588 . . . . 0.0 109.537 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 7.1 m -57.52 -43.41 84.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.176 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -55.45 -42.71 74.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.845 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 83.1 p -60.42 -41.98 95.07 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 121.027 0.441 . . . . 0.0 110.682 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.5 mp -61.94 -42.34 98.99 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.696 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 9.0 mp -62.38 -40.55 96.82 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.6 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 83.2 mt -56.73 -43.85 80.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 C-N-CA 119.519 -0.872 . . . . 0.0 109.594 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -59.05 -40.56 85.51 Favored 'General case' 0 C--O 1.248 0.979 0 CA-C-O 121.64 0.733 . . . . 0.0 110.144 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.673 ' O ' HG22 ' A' ' 130' ' ' VAL . 88.4 t -58.1 -32.03 43.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.455 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 66.7 mt -72.85 -44.78 57.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.652 178.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.46 HG22 HD22 ' A' ' 134' ' ' LEU . 81.5 p -49.31 -34.77 16.42 Favored 'General case' 0 CA--C 1.513 -0.476 0 C-N-CA 120.704 -0.399 . . . . 0.0 110.32 -178.067 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.673 HG22 ' O ' ' A' ' 127' ' ' VAL . 4.8 m -42.29 -35.43 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 C-N-CA 120.237 -0.585 . . . . 0.0 111.03 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -63.02 -41.68 99.61 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 121.014 0.435 . . . . 0.0 110.563 -179.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 102.07 -17.68 53.64 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -102.02 66.26 1.02 Allowed 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.892 0.377 . . . . 0.0 110.407 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.46 HD22 HG22 ' A' ' 129' ' ' THR . 6.4 tp -94.45 123.44 37.87 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 -179.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 8.8 t -80.21 166.0 21.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.256 0.55 . . . . 0.0 110.475 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -58.86 -41.35 86.81 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.163 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -43.8 -49.4 8.14 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 120.835 0.35 . . . . 0.0 110.451 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.32 -39.63 92.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.155 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 85.5 t -59.81 -46.47 93.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.151 0.5 . . . . 0.0 110.463 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -63.23 -44.98 93.71 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.314 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 35.7 m170 -61.69 -42.14 98.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.164 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -52.0 -52.43 50.67 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.132 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 36.1 mmtm -67.57 -35.83 79.77 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.407 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -70.89 -41.43 71.33 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -62.28 -47.74 83.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.981 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -67.04 -40.69 87.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.567 179.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 17.9 t90 -56.81 -51.11 70.22 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.106 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . 0.528 ' NZ ' ' OD2' ' A' ' 105' ' ' ASP . 6.0 mmtp -60.03 -42.52 94.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.454 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -58.09 -47.78 82.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.991 0.424 . . . . 0.0 110.287 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 76.3 p -72.99 -44.73 60.71 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.198 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -50.17 -52.11 38.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.723 0.297 . . . . 0.0 110.266 -178.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 85.5 mt -63.3 -43.24 98.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.147 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' HIS . . . . . 0.46 ' CE1' ' OE2' ' B' ' 173' ' ' GLU . 82.4 t60 -63.07 -44.06 96.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.983 -179.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -64.35 -42.12 96.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.764 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 6.6 p -66.25 -32.96 74.69 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.351 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 1.3 tp -61.37 -47.09 87.43 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.082 179.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -64.12 -39.13 93.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.42 -178.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -67.45 -20.3 65.48 Favored 'General case' 0 C--N 1.317 -0.826 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.211 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 82.33 51.55 4.34 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 110.619 -0.992 . . . . 0.0 110.619 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -135.96 128.35 30.28 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.018 0.437 . . . . 0.0 110.213 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . 0.56 ' O ' HG23 ' A' ' 161' ' ' THR . 14.8 t -53.97 121.94 32.25 Favored Pre-proline 0 CA--C 1.538 0.519 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.427 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -49.01 138.31 27.55 Favored 'Trans proline' 0 N--CA 1.497 1.733 0 C-N-CA 121.916 1.744 . . . . 0.0 112.421 179.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 . . . . . 0 N--CA 1.463 0.217 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.108 179.558 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.462 0 N-CA-C 110.362 -1.095 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.06 131.35 22.22 Favored Pre-proline 0 CA--C 1.545 0.751 0 C-N-CA 121.011 -0.276 . . . . 0.0 110.683 -179.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -45.9 167.15 0.06 OUTLIER 'Trans proline' 0 N--CA 1.496 1.631 0 C-N-CA 122.084 1.856 . . . . 0.0 111.957 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 157' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -83.46 107.99 16.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.638 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 25.7 mt -113.2 125.08 53.94 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -71.42 131.22 43.04 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 160' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -57.23 -38.66 74.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 161' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -67.15 -49.9 63.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.889 0.376 . . . . 0.0 111.051 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 162' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -63.93 -38.15 90.01 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.451 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 163' ' ' LEU . . . . . 0.54 ' O ' HD23 ' B' ' 163' ' ' LEU . 2.1 tt -59.84 -44.23 94.18 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.948 0.404 . . . . 0.0 110.168 -178.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -65.4 -35.59 81.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.007 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 165' ' ' ALA . . . . . . . . . . . . . . . -59.67 -46.84 87.82 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.058 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.21 -37.97 72.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.834 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.77 -56.1 20.56 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.24 -178.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 168' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -55.26 -43.12 74.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.238 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -57.74 -47.32 82.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.37 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 170' ' ' LEU . . . . . 0.411 HD12 ' OE2' ' B' ' 173' ' ' GLU . 2.8 tp -57.98 -43.68 86.68 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.114 -179.114 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -55.54 -42.82 85.15 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.699 -0.96 . . . . 0.0 110.699 -179.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 172' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -59.07 -49.54 77.5 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.896 0.379 . . . . 0.0 110.933 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 173' ' ' GLU . . . . . 0.46 ' OE2' ' CE1' ' A' ' 153' ' ' HIS . 1.5 pt-20 -67.2 -43.65 81.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.867 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 174' ' ' LEU . . . . . 0.497 HD21 ' HG3' ' A' ' 116' ' ' LYS . 3.4 tp -64.47 -39.47 93.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.329 -178.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 48.9 tp -60.27 -42.69 95.92 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.889 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.43 0 C-N-CA 120.53 -0.468 . . . . 0.0 111.588 -179.357 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 182' ' ' TYR . . . . . 0.638 ' CE1' ' ND2' ' A' ' 113' ' ' ASN . 15.6 m-85 . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.847 0.356 . . . . 0.0 110.186 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 183' ' ' LEU . . . . . . . . . . . . . 19.1 mt -61.96 -42.12 98.76 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.385 179.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 184' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -67.59 -35.96 79.96 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 121.017 0.437 . . . . 0.0 110.456 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -70.73 -43.28 69.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.864 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 186' ' ' ALA . . . . . 0.52 ' O ' ' NZ ' ' A' ' 96' ' ' LYS . . . . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.731 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.637 HD22 ' N ' ' A' ' 4' ' ' LEU . 3.6 mm? . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.02 0.438 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.559 ' HB1' ' HD2' ' A' ' 6' ' ' PRO . . . -64.73 162.4 36.63 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.131 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.559 ' HD2' ' HB1' ' A' ' 5' ' ' ALA . 58.8 Cg_endo -71.38 148.56 55.05 Favored 'Trans proline' 0 C--N 1.309 -1.55 0 C-N-CA 122.69 2.26 . . . . 0.0 111.915 179.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.9 mt -90.07 147.6 37.51 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.49 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -63.81 166.35 16.26 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.652 2.235 . . . . 0.0 112.196 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -41.22 135.8 2.59 Favored 'Trans proline' 0 C--N 1.312 -1.352 0 C-N-CA 122.473 2.115 . . . . 0.0 111.878 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.44 121.6 63.05 Favored Pre-proline 0 CA--C 1.54 0.56 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.762 -179.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -71.31 152.13 60.85 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.251 1.967 . . . . 0.0 111.938 178.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.73 -33.29 71.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.804 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -56.47 -34.86 67.29 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.637 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -93.85 29.6 2.04 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.141 0.496 . . . . 0.0 110.163 -178.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.6 ttmt -75.03 -32.01 61.47 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.664 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.0 m -54.91 -17.94 4.3 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.672 -178.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 44.9 pt -116.39 8.99 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.52 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.3 -52.94 63.48 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.234 -178.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.502 ' C ' ' HD1' ' A' ' 19' ' ' HIS . 6.8 t-80 -59.73 -37.81 79.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.05 0.452 . . . . 0.0 110.732 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -64.31 -39.21 93.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.599 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.484 ' CD2' HH12 ' A' ' 39' ' ' ARG . 71.7 mt -62.33 -44.32 96.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.214 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -61.69 -40.74 96.08 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.431 -179.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.3 m -60.51 -43.24 97.29 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.99 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.424 ' O ' ' OD2' ' A' ' 28' ' ' ASP . . . -65.6 -43.86 88.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.702 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -51.06 -41.37 59.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.291 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -79.45 -48.06 14.59 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.244 0.545 . . . . 0.0 110.945 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.427 ' O ' ' N ' ' A' ' 31' ' ' ASP . 0.3 OUTLIER -62.43 -20.55 64.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.615 -179.203 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.424 ' OD2' ' O ' ' A' ' 24' ' ' ALA . 6.7 m-20 -52.57 -41.83 63.95 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -88.41 -35.12 17.27 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.251 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.536 ' NH1' ' OD1' ' B' ' 184' ' ' ASP . 26.7 ttm-85 -70.57 -58.6 3.52 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.524 -0.471 . . . . 0.0 110.76 -178.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 27' ' ' HIS . 17.1 m-20 -135.01 114.88 11.9 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.72 -179.411 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -74.99 -30.02 7.62 Favored 'Trans proline' 0 N--CA 1.489 1.264 0 C-N-CA 122.286 1.991 . . . . 0.0 112.236 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 87.6 t -61.84 -49.89 82.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.55 -179.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.495 ' O ' ' SG ' ' A' ' 38' ' ' CYS . 64.3 t -68.33 -45.51 82.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.357 179.346 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.11 -39.52 82.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.799 -179.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.419 ' CD2' HD12 ' A' ' 80' ' ' ILE . 87.0 t80 -60.96 -50.14 74.6 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.065 0.46 . . . . 0.0 110.391 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -66.23 -34.94 79.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.375 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.495 ' SG ' ' O ' ' A' ' 34' ' ' VAL . 91.2 m -59.4 -45.21 92.12 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.095 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.484 HH12 ' CD2' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -61.4 -44.17 97.6 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.818 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.3 tp -58.68 -44.54 90.25 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.106 -0.638 . . . . 0.0 109.683 -179.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -55.05 -47.05 75.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.988 0.423 . . . . 0.0 110.083 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.29 -46.66 89.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.237 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 7.6 ttt -59.01 -43.72 91.57 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.613 -178.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -62.91 -44.57 95.72 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.251 0.548 . . . . 0.0 110.987 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.2 m -73.6 -43.26 60.12 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.085 0.469 . . . . 0.0 110.244 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.95 -52.72 37.64 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 -179.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.48 ' O ' ' O ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -65.69 -36.05 82.53 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.9 0.381 . . . . 0.0 110.146 179.459 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.479 ' N ' ' SD ' ' A' ' 47' ' ' MET . 15.8 tttp -63.29 -40.35 97.12 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.265 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 81.4 mt -66.8 -47.04 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.527 -179.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.649 ' OD2' HG22 ' A' ' 53' ' ' THR . 22.2 t70 -153.04 -135.37 0.06 Allowed 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 118.935 -0.555 . . . . 0.0 109.63 -179.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.574 ' CB ' ' O ' ' A' ' 50' ' ' ASP . 24.5 p 130.62 -35.85 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.96 0 O-C-N 124.187 0.929 . . . . 0.0 110.355 179.044 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -60.76 -47.78 84.76 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.257 -178.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.673 HG23 ' H ' ' A' ' 56' ' ' CYS . 12.0 t -56.94 136.77 79.74 Favored Pre-proline 0 C--N 1.32 -0.693 0 C-N-CA 120.388 -0.525 . . . . 0.0 111.087 -179.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.94 -35.96 73.18 Favored 'Trans proline' 0 N--CA 1.497 1.734 0 C-N-CA 122.117 1.878 . . . . 0.0 112.641 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -55.33 -47.54 75.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.863 0.363 . . . . 0.0 110.466 -178.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.673 ' H ' HG23 ' A' ' 53' ' ' THR . 17.9 t -71.11 -32.06 68.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.076 179.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 59.3 ttt-85 -55.62 -52.25 64.43 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.443 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -41.4 89.26 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.699 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -60.37 -47.44 86.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.467 -179.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.408 ' CD1' ' SG ' ' A' ' 56' ' ' CYS . 24.4 mt -63.81 -41.42 97.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.644 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 57.1 m -53.1 -50.13 65.08 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.86 0.362 . . . . 0.0 110.644 -178.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.431 ' NZ ' ' HB3' ' A' ' 5' ' ' ALA . 53.0 tptt -65.21 -43.61 91.0 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.449 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 36.2 tp -60.71 -42.9 98.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.262 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 37.7 ttm -65.51 -41.59 93.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.006 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -62.09 -39.41 92.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.331 -179.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -62.46 -42.93 99.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.446 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.7 mt -59.67 -45.43 92.09 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.611 -179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -67.22 -43.68 81.43 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.276 0.56 . . . . 0.0 110.232 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.409 ' O ' ' HG3' ' A' ' 73' ' ' GLN . . . -62.67 -46.15 89.54 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.631 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.547 HD13 ' O ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -58.16 -42.49 86.09 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.331 -178.332 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -59.85 -41.53 91.66 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.081 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -59.99 -41.15 91.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.569 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 42.2 mt-30 -61.89 -42.65 99.33 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.381 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.3 mt -79.32 -29.15 42.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.144 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.72 -88.0 1.05 Allowed Glycine 0 N--CA 1.451 -0.366 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.455 ' O ' ' O ' ' A' ' 77' ' ' ASN . 0.4 OUTLIER -110.9 -62.98 1.46 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.835 0.35 . . . . 0.0 110.685 -179.43 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.458 ' OD1' ' HB3' ' A' ' 79' ' ' ALA . 33.9 t-20 48.49 105.83 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.674 -179.207 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.405 ' H ' ' HG3' ' A' ' 78' ' ' GLU . 84.4 mt-10 -42.81 -50.97 5.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.303 -179.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.458 ' HB3' ' OD1' ' A' ' 77' ' ' ASN . . . -48.16 -27.72 2.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.686 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.419 HD12 ' CD2' ' A' ' 36' ' ' TYR . 49.4 mm -102.22 -50.38 9.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.01 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.13 5.23 1.27 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.532 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -156.21 102.16 2.1 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -58.1 -22.92 52.82 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.653 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 72.6 mt -58.44 -55.8 20.32 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.678 -178.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.466 ' H ' HG12 ' A' ' 85' ' ' VAL . 1.1 p -72.16 -34.25 49.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -55.85 -50.14 62.69 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -179.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.605 ' SG ' ' N ' ' A' ' 88' ' ' ALA . 15.8 p -63.19 -47.42 82.66 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.739 -0.384 . . . . 0.0 109.981 179.287 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.605 ' N ' ' SG ' ' A' ' 87' ' ' CYS . . . -55.78 -35.03 65.82 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.587 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -66.06 -43.47 87.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.128 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.7 mt -60.94 -41.16 95.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.929 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -62.53 -45.31 93.56 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.839 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -60.8 -42.37 97.48 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.366 -0.533 . . . . 0.0 110.916 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -63.46 -47.65 80.95 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.771 -0.371 . . . . 0.0 111.01 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.43 -46.69 85.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.985 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.5 -40.3 96.26 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.693 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -59.23 -44.74 92.32 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.318 -179.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 36.1 mmm -67.15 -42.75 83.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.047 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.478 ' CD2' ' OD2' ' A' ' 102' ' ' ASP . 38.8 t80 -63.4 -57.92 8.73 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.692 -179.174 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 99' ' ' LEU . 1.0 OUTLIER -53.74 -39.71 65.52 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.471 -179.111 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.432 ' CZ ' ' OE2' ' A' ' 104' ' ' GLU . 55.0 t80 -54.86 -48.15 73.31 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.854 -179.194 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.1 -38.87 86.43 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.989 179.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.478 ' OD2' ' CD2' ' A' ' 98' ' ' PHE . 80.4 m-20 -59.71 -46.85 87.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.789 -179.246 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -63.28 -44.07 96.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.625 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.432 ' OE2' ' CZ ' ' A' ' 100' ' ' TYR . 87.3 mt-10 -66.52 -31.74 72.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.566 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -68.38 -57.42 5.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.981 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 25.3 mtp-105 -64.33 -34.33 77.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.51 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.08 -12.1 35.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.452 -179.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 80.34 26.88 53.81 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 16.3 mmt85 -121.58 103.18 8.73 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.764 0.316 . . . . 0.0 110.227 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -99.88 141.82 32.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.329 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -154.03 169.9 22.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.677 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -62.43 -31.59 72.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.098 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -62.45 -33.6 75.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.56 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.442 ' HG2' ' N ' ' A' ' 115' ' ' ILE . 0.2 OUTLIER -57.89 -48.96 78.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.182 0.515 . . . . 0.0 109.613 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.442 ' N ' ' HG2' ' A' ' 114' ' ' MET . 53.4 mt -61.27 -44.82 99.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.553 -177.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.591 ' HD3' HD21 ' B' ' 174' ' ' LEU . 0.1 OUTLIER -62.31 -40.12 95.29 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.787 179.192 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 9.8 t -56.45 -51.35 68.74 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.831 -178.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -62.19 -47.3 85.11 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.484 -0.487 . . . . 0.0 110.854 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.429 ' CE1' ' CD2' ' A' ' 19' ' ' HIS . 44.3 t80 -60.94 -55.82 28.37 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-O 121.253 0.549 . . . . 0.0 110.689 -179.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 12.9 m -55.86 -44.38 78.02 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.247 -179.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -53.69 -37.58 63.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.102 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 6.5 p -62.42 -44.66 95.91 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-O 121.145 0.498 . . . . 0.0 110.901 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.9 mp -61.95 -39.88 93.65 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.161 0.505 . . . . 0.0 110.394 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 70.7 mt -62.27 -39.14 91.94 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.209 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 77.4 mt -59.68 -41.91 86.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.593 ' O ' ' OG1' ' A' ' 129' ' ' THR . 66.9 m-20 -59.43 -42.5 92.02 Favored 'General case' 0 C--O 1.245 0.856 0 CA-C-O 122.138 0.971 . . . . 0.0 109.912 179.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.646 ' O ' HG22 ' A' ' 130' ' ' VAL . 94.0 t -59.36 -33.15 50.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.338 179.165 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 89.3 mt -73.27 -44.31 55.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.632 178.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.692 HG22 HD11 ' A' ' 134' ' ' LEU . 36.6 p -48.25 -38.8 19.52 Favored 'General case' 0 CA--C 1.506 -0.737 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.508 -176.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.646 HG22 ' O ' ' A' ' 127' ' ' VAL . 4.3 m -41.56 -34.14 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.047 -0.661 . . . . 0.0 110.948 179.197 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -63.28 -46.43 86.84 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.43 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 107.84 44.06 1.25 Allowed Glycine 0 CA--C 1.527 0.839 0 N-CA-C 111.388 -0.685 . . . . 0.0 111.388 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -128.19 57.43 1.57 Allowed 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 121.007 0.432 . . . . 0.0 109.998 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.692 HD11 HG22 ' A' ' 129' ' ' THR . 4.1 mm? -84.92 90.04 7.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.057 0.456 . . . . 0.0 112.042 -178.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.691 ' N ' HD22 ' A' ' 138' ' ' ASN . 0.1 OUTLIER -92.49 145.83 24.15 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.395 179.47 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -39.24 -36.2 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.83 -179.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -57.67 -59.55 5.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.78 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.691 HD22 ' N ' ' A' ' 135' ' ' THR . 2.2 p30 -50.8 -47.5 59.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.248 0.547 . . . . 0.0 110.712 -179.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . 0.485 ' N ' ' CG ' ' A' ' 138' ' ' ASN . 70.2 t -60.76 -43.25 94.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.266 -178.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.6 -42.37 96.65 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.781 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 26.8 m170 -65.86 -43.86 87.16 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.196 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 9.8 tmm_? -58.67 -44.71 90.29 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.48 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -64.77 -38.13 89.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.819 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -69.71 -44.05 71.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.912 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -58.47 -41.71 85.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.854 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 66.7 mtp180 -69.83 -40.59 75.76 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.196 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 24.3 t90 -58.14 -51.46 69.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.836 0.351 . . . . 0.0 110.658 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 11.8 mmtm -61.99 -41.75 98.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.052 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -51.3 -52.63 43.46 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 120.719 -0.393 . . . . 0.0 111.103 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 36.2 p -69.19 -40.28 78.17 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.263 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -55.88 -48.34 75.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.948 0.404 . . . . 0.0 110.945 -178.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 36.8 mt -63.85 -44.97 98.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.508 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -55.5 -43.06 75.31 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.485 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -62.55 -38.03 88.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.503 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . 0.601 ' O ' ' OD1' ' A' ' 158' ' ' ASN . 80.6 m -60.21 -36.18 77.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.168 0.508 . . . . 0.0 110.037 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 156' ' ' LEU . 8.2 mp -67.68 -44.58 77.45 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 120.06 -0.656 . . . . 0.0 110.843 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -64.87 -43.36 93.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.442 -178.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' ASN . . . . . 0.601 ' OD1' ' O ' ' A' ' 155' ' ' CYS . 33.0 p30 -69.57 -19.97 63.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.547 -179.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . 0.562 ' N ' ' OD1' ' A' ' 158' ' ' ASN . . . 84.01 48.46 5.15 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.395 -1.082 . . . . 0.0 110.395 -178.503 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . 0.489 ' N ' ' OD1' ' A' ' 158' ' ' ASN . 58.4 mt-10 -141.61 159.77 41.53 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.82 0.343 . . . . 0.0 110.471 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 3.6 t -97.57 142.92 25.3 Favored Pre-proline 0 CA--C 1.535 0.383 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.297 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -68.75 155.15 69.7 Favored 'Trans proline' 0 N--CA 1.495 1.602 0 C-N-CA 122.512 2.142 . . . . 0.0 111.905 179.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 . . . . . 0 N--CA 1.464 0.23 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.079 179.777 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.259 0 N-CA-C 110.372 -1.091 . . . . 0.0 110.372 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.49 147.55 64.47 Favored Pre-proline 0 CA--C 1.535 0.38 0 CA-C-O 120.571 0.224 . . . . 0.0 110.424 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.74 -158.63 0.06 OUTLIER 'Trans proline' 0 N--CA 1.491 1.377 0 C-N-CA 122.653 2.235 . . . . 0.0 111.829 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 157' ' ' GLU . . . . . 0.538 ' N ' ' OE1' ' B' ' 157' ' ' GLU . 56.7 mp0 -99.32 117.55 34.01 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.886 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 34.6 mt -114.14 137.39 51.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.387 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -82.93 116.62 22.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.058 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 160' ' ' GLU . . . . . 0.653 ' H ' ' CD ' ' B' ' 160' ' ' GLU . 1.0 OUTLIER -54.88 -39.1 68.34 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.024 -179.412 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 161' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -62.9 -58.15 8.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.204 0.526 . . . . 0.0 110.636 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 162' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' B' ' 165' ' ' ALA . 29.9 m-20 -63.28 -48.3 78.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.435 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 14.3 tp -43.5 -49.55 7.3 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.438 -179.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -68.46 -31.24 70.4 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.971 -0.292 . . . . 0.0 110.786 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 165' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' B' ' 162' ' ' ASP . . . -65.81 -52.61 49.22 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 120.795 0.331 . . . . 0.0 111.507 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.29 -40.48 93.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.111 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.98 -50.99 68.6 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 119.841 -0.744 . . . . 0.0 110.362 -178.114 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 168' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -52.49 -46.04 66.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.235 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -60.47 -49.9 75.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.326 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 170' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' B' ' 174' ' ' LEU . 22.8 tp -59.58 -51.07 71.39 Favored 'General case' 0 C--O 1.218 -0.591 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 171' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' B' ' 175' ' ' LEU . . . -45.52 -55.24 7.05 Favored Glycine 0 C--O 1.223 -0.546 0 C-N-CA 120.296 -0.954 . . . . 0.0 111.535 -178.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 172' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.4 -52.13 65.89 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.542 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 -63.24 -52.01 63.9 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.523 -179.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 174' ' ' LEU . . . . . 0.597 ' C ' HD23 ' B' ' 174' ' ' LEU . 7.9 tt -63.21 -39.94 96.08 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.494 178.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 175' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' B' ' 171' ' ' GLY . 20.6 tp -46.6 -60.01 2.64 Favored 'General case' 0 C--O 1.215 -0.721 0 C-N-CA 120.045 -0.662 . . . . 0.0 110.701 179.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.447 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -177.733 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 182' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 . . . . . 0 C--O 1.237 0.415 0 CA-C-O 120.86 0.362 . . . . 0.0 110.537 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 183' ' ' LEU . . . . . 0.439 HD11 ' NZ ' ' A' ' 116' ' ' LYS . 7.9 mp -61.78 -40.61 95.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.569 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 184' ' ' ASP . . . . . 0.536 ' OD1' ' NH1' ' A' ' 30' ' ' ARG . 9.9 m-20 -69.74 -27.67 65.15 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.486 179.46 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -64.13 -51.18 65.17 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.552 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 186' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.898 -179.888 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.0 mt . . . . . 0 N--CA 1.466 0.327 0 CA-C-O 121.158 0.504 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.3 143.96 16.91 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.466 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.81 138.27 37.27 Favored 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.48 2.12 . . . . 0.0 112.042 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 mt -75.44 150.17 84.6 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.499 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.475 ' O ' ' O ' ' A' ' 9' ' ' PRO . 17.8 Cg_endo -57.38 166.06 5.02 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 122.408 2.072 . . . . 0.0 111.963 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.475 ' O ' ' O ' ' A' ' 8' ' ' PRO . 85.6 Cg_exo -39.18 168.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.313 -1.333 0 C-N-CA 123.03 2.487 . . . . 0.0 111.708 179.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.66 98.85 22.13 Favored Pre-proline 0 CA--C 1.537 0.443 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.91 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -48.91 157.72 1.52 Allowed 'Trans proline' 0 N--CA 1.49 1.316 0 C-N-CA 122.18 1.92 . . . . 0.0 112.08 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.12 -40.19 92.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.137 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.9 pm0 -68.15 -23.13 64.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.03 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.478 ' O ' ' N ' ' A' ' 16' ' ' SER . 18.9 m-30 -102.68 -13.9 16.91 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-O 121.302 0.572 . . . . 0.0 110.536 -179.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.2 tttp -46.89 -17.04 0.04 OUTLIER 'General case' 0 C--N 1.317 -0.834 0 C-N-CA 120.191 -0.603 . . . . 0.0 110.164 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 14' ' ' PHE . 39.1 p -70.83 -53.51 15.0 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.011 0.434 . . . . 0.0 111.061 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 29.5 pt -67.99 -3.09 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.601 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -56.45 -41.02 75.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.196 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 43.4 m80 -60.49 -44.39 96.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.057 0.456 . . . . 0.0 110.73 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.608 ' HD1' ' HG ' ' A' ' 38' ' ' CYS . 1.6 t-80 -66.8 -41.32 87.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.648 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 93.2 mt -62.24 -41.71 98.67 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.633 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.67 -41.84 99.3 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.045 0.45 . . . . 0.0 109.984 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.9 m -58.36 -43.62 88.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.211 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 28' ' ' ASP . . . -67.79 -39.49 84.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.718 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.3 mm-40 -52.81 -42.5 65.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.152 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -75.11 -53.42 8.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.889 0.376 . . . . 0.0 110.43 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.543 ' O ' ' N ' ' A' ' 31' ' ' ASP . 63.6 m80 -60.02 -18.36 45.69 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.647 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 24' ' ' ALA . 61.5 t0 -48.94 -41.38 33.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.571 -179.181 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -90.5 -9.83 45.87 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.921 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -106.69 -62.82 1.35 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.776 0.322 . . . . 0.0 110.983 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.543 ' N ' ' O ' ' A' ' 27' ' ' HIS . 73.0 m-20 -122.36 95.6 46.86 Favored Pre-proline 0 C--O 1.235 0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.157 -179.316 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -71.14 -28.21 19.13 Favored 'Trans proline' 0 N--CA 1.492 1.439 0 C-N-CA 122.264 1.976 . . . . 0.0 111.97 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 90.2 t -61.57 -47.22 94.39 Favored 'Isoleucine or valine' 0 C--O 1.239 0.513 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.539 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.8 t -67.53 -41.9 86.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.833 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.09 -39.93 91.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.747 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -60.51 -52.23 66.09 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 121.006 0.432 . . . . 0.0 110.602 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -62.99 -36.62 84.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.227 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.608 ' HG ' ' HD1' ' A' ' 20' ' ' HIS . 11.8 t -58.87 -46.28 88.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.502 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.4 mtt-85 -58.54 -41.94 86.68 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.486 ' O ' ' HG3' ' A' ' 43' ' ' MET . 7.1 tp -56.96 -43.19 81.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.885 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -59.86 -41.12 90.76 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.3 179.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.28 -59.67 4.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.527 -178.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.486 ' HG3' ' O ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -52.08 -39.4 59.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.72 -178.549 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.407 HE21 ' HG ' ' A' ' 40' ' ' LEU . 71.3 mt-30 -68.92 -41.72 77.76 Favored 'General case' 0 CA--C 1.523 -0.085 0 CA-C-O 121.105 0.478 . . . . 0.0 111.042 -179.137 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.4 m -72.15 -41.86 66.62 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.774 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -62.42 -49.58 72.66 Favored Glycine 0 CA--C 1.522 0.52 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.814 -178.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.494 ' O ' ' O ' ' A' ' 50' ' ' ASP . 9.3 ptt? -64.83 -36.98 86.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.36 . . . . 0.0 110.434 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.5 tptt -64.11 -45.85 86.78 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.526 -179.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 56.4 mt -64.59 -48.08 86.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.961 -179.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.494 ' O ' ' O ' ' A' ' 47' ' ' MET . 91.4 m-20 -96.92 -175.77 3.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.293 -179.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.1 p 176.63 -24.7 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.581 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.5 mttm -136.72 86.39 2.21 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.916 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -178.0 134.05 0.33 Allowed Pre-proline 0 C--N 1.324 -0.534 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.797 179.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.78 -32.29 18.77 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 122.181 1.921 . . . . 0.0 112.255 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -59.97 -59.68 5.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.144 0.497 . . . . 0.0 110.552 -179.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.01 -36.19 76.68 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.982 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 67.9 ttt-85 -55.45 -43.57 75.55 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.175 -178.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.427 ' O ' ' OG ' ' A' ' 61' ' ' SER . 42.1 tttp -63.61 -41.51 98.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.118 179.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -60.99 -44.21 97.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.517 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.5 mt -60.78 -44.37 96.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.689 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' A' ' 58' ' ' LYS . 79.3 p -56.96 -44.68 82.86 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.163 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.1 mmtm -63.45 -39.94 95.81 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.516 179.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.511 ' O ' HD13 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -61.07 -46.84 89.01 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.454 -178.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 1.8 mtt -64.48 -39.24 93.44 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.515 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -59.41 -45.47 91.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.558 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -66.26 -40.65 90.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.912 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.6 mt -56.86 -44.67 82.42 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.436 -0.506 . . . . 0.0 110.945 -179.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -66.42 -42.77 87.26 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.363 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.63 -40.98 88.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.642 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.19 -47.79 84.03 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.589 -178.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 51.4 tttm -59.75 -41.52 91.16 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.462 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -63.6 -41.44 98.33 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.719 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.56 -41.25 98.8 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.817 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 84.8 mt -78.04 -3.29 41.41 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.422 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.486 ' O ' ' CB ' ' A' ' 76' ' ' ASP . . . 50.85 48.77 43.82 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.935 179.236 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.508 ' O ' ' CB ' ' A' ' 77' ' ' ASN . 6.2 m-20 91.7 -100.58 0.0 OUTLIER 'General case' 0 CA--C 1.509 -0.612 0 O-C-N 124.398 0.705 . . . . 0.0 110.051 178.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' A' ' 76' ' ' ASP . 20.7 t-20 90.01 142.33 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.645 0 O-C-N 124.049 0.843 . . . . 0.0 110.019 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -65.33 -43.49 90.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.853 -179.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.469 ' HA ' HG13 ' A' ' 85' ' ' VAL . . . -58.69 -28.64 65.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.228 -178.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.551 HD12 ' N ' ' A' ' 80' ' ' ILE . 1.5 mp -93.65 -50.38 12.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.908 0.385 . . . . 0.0 111.121 -179.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 23.6 p -61.85 -50.1 73.6 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.005 -178.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -108.93 108.67 19.51 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.535 0.683 . . . . 0.0 110.491 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -60.85 -20.54 61.98 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.399 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 25.6 mm -54.85 -54.26 25.1 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.394 -178.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.469 HG13 ' HA ' ' A' ' 79' ' ' ALA . 2.3 p -71.05 -31.16 44.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.347 -0.388 . . . . 0.0 109.954 178.268 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.1 -43.52 96.97 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -68.74 -51.62 39.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.368 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.481 ' O ' ' ND2' ' A' ' 92' ' ' ASN . . . -53.99 -36.32 62.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.219 -179.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -66.26 -47.96 72.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.011 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.47 -44.44 97.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.931 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 73.2 tt0 -66.12 -49.67 66.7 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.732 -178.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 88' ' ' ALA . 3.8 m-80 -62.45 -42.26 99.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.674 -179.526 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -62.87 -45.78 90.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.346 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.99 -40.36 97.53 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.694 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 63.5 mt -62.82 -41.78 99.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.739 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -62.4 -44.48 96.34 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.307 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 37.4 tpp -67.6 -47.68 69.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.847 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.519 ' CG ' ' NE2' ' A' ' 141' ' ' HIS . 88.3 t80 -57.84 -51.39 69.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.343 -179.212 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 92.9 mt -61.59 -41.5 97.52 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.649 -179.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -50.96 -47.02 61.3 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.88 -39.24 79.9 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.938 0.399 . . . . 0.0 110.497 178.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -62.19 -42.16 99.02 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.159 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -63.72 -41.93 97.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.448 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -65.58 -34.9 79.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.116 -179.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -62.16 -46.88 87.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.619 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.78 -36.74 79.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.011 0.434 . . . . 0.0 110.522 179.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.06 -13.81 40.55 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.566 -0.454 . . . . 0.0 110.08 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 83.52 33.11 23.19 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -115.39 102.73 10.1 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.672 0.272 . . . . 0.0 110.341 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -103.54 133.37 48.68 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.856 0.36 . . . . 0.0 110.261 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.413 ' ND1' ' N ' ' A' ' 111' ' ' HIS . 0.1 OUTLIER -168.92 177.6 4.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.144 0.497 . . . . 0.0 110.596 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 32.9 mtmm -67.83 -16.47 64.12 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.815 179.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -62.6 -59.16 5.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.245 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 2.4 ppp? -61.77 -34.08 75.23 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.423 HD11 HG22 ' A' ' 152' ' ' ILE . 58.4 mt -60.54 -48.74 87.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 119.952 -0.699 . . . . 0.0 109.942 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -61.34 -35.29 77.01 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.331 -178.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 72.7 m -59.51 -47.79 84.14 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.055 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -61.44 -44.84 96.41 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.756 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -60.03 -53.72 54.46 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.087 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 15.0 m -55.75 -40.91 73.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.07 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -57.88 -41.81 83.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.645 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 56.4 p -60.45 -42.98 97.27 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 121.205 0.526 . . . . 0.0 110.969 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.1 mp -61.62 -39.48 91.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.211 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 91.4 mt -62.39 -37.12 84.51 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.395 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.467 ' O ' HG23 ' A' ' 129' ' ' THR . 86.4 mt -61.36 -43.49 96.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.472 ' O ' ' OG1' ' A' ' 129' ' ' THR . 2.4 m-20 -58.53 -41.97 86.72 Favored 'General case' 0 C--O 1.242 0.667 0 CA-C-O 121.305 0.574 . . . . 0.0 109.871 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.694 ' O ' HG22 ' A' ' 130' ' ' VAL . 60.2 t -59.17 -35.09 55.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.683 179.051 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 93.6 mt -71.25 -44.67 73.05 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.592 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.411 178.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.881 HG22 HD13 ' A' ' 134' ' ' LEU . 68.2 p -50.43 -36.99 35.66 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.578 -177.261 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.694 HG22 ' O ' ' A' ' 127' ' ' VAL . 2.1 m -48.89 -22.25 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 C-N-CA 120.445 -0.502 . . . . 0.0 111.181 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -60.38 -25.81 66.18 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.142 -178.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 90.8 12.64 60.39 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -112.43 -92.94 0.47 Allowed 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 120.866 0.365 . . . . 0.0 110.261 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.881 HD13 HG22 ' A' ' 129' ' ' THR . 13.1 tp 66.87 103.08 0.05 OUTLIER 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.138 179.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.19 165.67 14.31 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 179.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -53.13 -38.36 62.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.763 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -53.13 -49.58 66.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.788 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -62.47 -39.31 93.02 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.725 0.298 . . . . 0.0 110.765 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 49.1 t -61.0 -44.46 98.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -179.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -63.81 -36.63 84.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.72 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.519 ' NE2' ' CG ' ' A' ' 98' ' ' PHE . 22.1 t-160 -59.83 -45.58 91.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.598 -179.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 30.7 ttp180 -64.11 -42.27 96.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.533 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -56.46 -40.21 74.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.041 0.448 . . . . 0.0 110.544 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -75.4 -34.76 61.09 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.499 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -63.04 -46.17 88.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.173 -179.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . 0.643 ' O ' HG23 ' A' ' 150' ' ' THR . 50.1 ptt85 -70.33 -40.92 73.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.589 -179.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' TRP . . . . . 0.403 ' N ' ' HG3' ' A' ' 146' ' ' ARG . 9.4 t90 -59.95 -52.42 65.46 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 120.991 0.424 . . . . 0.0 110.562 -179.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 8.2 tptp -59.43 -56.63 19.6 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.244 -178.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -47.4 -45.57 25.47 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.949 0.404 . . . . 0.0 111.248 -179.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . 0.643 HG23 ' O ' ' A' ' 146' ' ' ARG . 75.2 p -66.97 -43.99 81.63 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.393 -179.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' TYR . . . . . 0.489 ' O ' ' SG ' ' A' ' 155' ' ' CYS . 51.8 t80 -55.46 -44.81 76.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.57 -178.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . 0.423 HG22 HD11 ' A' ' 115' ' ' ILE . 38.6 mm -64.38 -43.98 97.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.641 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -64.92 -44.86 88.14 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.806 -178.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -65.08 -40.14 94.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.943 0.402 . . . . 0.0 111.014 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . 0.489 ' SG ' ' O ' ' A' ' 151' ' ' TYR . 91.8 m -64.75 -40.4 95.24 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.351 -179.114 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.682 ' C ' HD23 ' A' ' 156' ' ' LEU . 7.8 tt -61.81 -44.09 97.55 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.579 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.421 ' HZ1' ' CB ' ' B' ' 169' ' ' ALA . 91.4 mttt -61.45 -40.5 94.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.099 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -79.98 -22.87 42.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.821 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 75.5 49.62 9.0 Favored Glycine 0 CA--C 1.529 0.92 0 N-CA-C 110.639 -0.984 . . . . 0.0 110.639 -179.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -121.19 135.38 55.16 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.952 0.406 . . . . 0.0 110.981 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 18.7 m -64.33 115.98 24.3 Favored Pre-proline 0 CA--C 1.535 0.404 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.604 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -75.94 147.7 30.86 Favored 'Trans proline' 0 N--CA 1.493 1.459 0 C-N-CA 122.287 1.992 . . . . 0.0 112.161 -179.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 . . . . . 0 C--N 1.331 -0.204 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.245 179.657 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.398 0 N-CA-C 110.37 -1.092 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 1.1 p -132.64 152.76 80.52 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 120.723 0.297 . . . . 0.0 110.407 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -67.22 -179.22 1.71 Allowed 'Trans proline' 0 N--CA 1.494 1.5 0 C-N-CA 122.801 2.334 . . . . 0.0 111.817 179.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 157' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -80.26 96.08 6.5 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 20.5 mt -104.6 126.45 51.7 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.726 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 159' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' B' ' 160' ' ' GLU . 65.0 t0 -86.37 132.13 34.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.122 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 160' ' ' GLU . . . . . 0.433 ' N ' ' OD1' ' B' ' 159' ' ' ASP . 14.2 pt-20 -59.51 -35.85 74.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.011 -179.524 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 161' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -64.28 -57.11 10.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.395 0.617 . . . . 0.0 110.651 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 162' ' ' ASP . . . . . 0.419 ' O ' ' CG ' ' B' ' 166' ' ' GLU . 98.5 m-20 -63.18 -41.27 99.19 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.264 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 163' ' ' LEU . . . . . 0.414 HD21 ' NH1' ' A' ' 146' ' ' ARG . 47.0 tp -52.4 -44.98 65.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.862 -179.17 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 71.0 tt0 -69.41 -33.42 72.97 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.549 -179.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 165' ' ' ALA . . . . . . . . . . . . . . . -62.27 -45.89 91.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.241 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 166' ' ' GLU . . . . . 0.419 ' CG ' ' O ' ' B' ' 162' ' ' ASP . 0.0 OUTLIER -66.88 -47.82 70.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.439 -179.445 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . 0.409 HD22 HG22 ' A' ' 150' ' ' THR . 0.1 OUTLIER -57.34 -48.3 79.35 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.206 -0.597 . . . . 0.0 110.313 -178.258 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 168' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -55.79 -47.67 76.68 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.282 -178.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 169' ' ' ALA . . . . . 0.421 ' CB ' ' HZ1' ' A' ' 157' ' ' LYS . . . -57.87 -46.07 85.4 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 38.2 tp -60.86 -43.94 97.69 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -49.08 -43.33 32.08 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.392 -1.083 . . . . 0.0 110.392 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 172' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -61.48 -48.71 79.86 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 121.608 0.718 . . . . 0.0 110.326 179.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -58.6 -42.76 88.87 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.749 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -68.5 -32.38 72.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.307 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 3.2 tp -56.05 -41.08 74.48 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.434 0 C-N-CA 120.169 -0.613 . . . . 0.0 110.818 179.603 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 182' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.358 0 N-CA-C 109.649 -0.501 . . . . 0.0 109.649 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 183' ' ' LEU . . . . . . . . . . . . . 25.5 mt -59.63 -43.17 93.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.972 -177.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 184' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -66.26 -32.26 73.58 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.43 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.6 -52.66 64.21 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 121.036 0.445 . . . . 0.0 110.406 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 186' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.986 -179.291 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.453 HD11 HD23 ' A' ' 70' ' ' LEU . 81.2 mt . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.894 0.378 . . . . 0.0 110.486 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.2 152.03 78.83 Favored Pre-proline 0 CA--C 1.538 0.488 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.373 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -65.94 146.98 84.25 Favored 'Trans proline' 0 N--CA 1.497 1.694 0 C-N-CA 122.517 2.144 . . . . 0.0 111.543 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 64.7 mt -99.63 145.04 29.43 Favored Pre-proline 0 CA--C 1.537 0.456 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.726 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -65.44 169.14 13.08 Favored 'Trans proline' 0 N--CA 1.499 1.799 0 C-N-CA 122.742 2.295 . . . . 0.0 112.472 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -45.11 140.54 7.4 Favored 'Trans proline' 0 N--CA 1.491 1.344 0 C-N-CA 122.081 1.854 . . . . 0.0 111.43 179.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 tt -95.29 114.26 63.4 Favored Pre-proline 0 CA--C 1.537 0.479 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.23 -179.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -74.14 150.26 42.37 Favored 'Trans proline' 0 N--CA 1.495 1.611 0 C-N-CA 121.75 1.634 . . . . 0.0 112.105 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.35 -20.22 1.64 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.251 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -53.41 -35.52 60.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.688 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -109.88 36.14 3.11 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.03 0.443 . . . . 0.0 110.994 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 56.5 tttp -68.84 -30.66 69.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.995 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.2 m -65.88 -48.39 71.67 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.688 -179.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 42.5 pt -81.48 -13.91 12.53 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 CA-C-O 121.092 0.473 . . . . 0.0 110.578 -179.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.402 ' OE1' ' N ' ' A' ' 19' ' ' HIS . 6.4 tm0? -51.23 -41.24 60.17 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.747 -178.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.402 ' N ' ' OE1' ' A' ' 18' ' ' GLN . 2.6 m-70 -56.43 -39.13 72.57 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.729 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.619 ' ND1' ' SG ' ' A' ' 38' ' ' CYS . 0.2 OUTLIER -68.74 -37.52 79.48 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.649 179.455 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.6 mt -61.9 -43.9 97.9 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.566 -0.453 . . . . 0.0 111.006 -178.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.451 ' HE ' ' N ' ' A' ' 22' ' ' ARG . 1.6 mmp_? -66.22 -42.11 89.14 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-O 121.427 0.632 . . . . 0.0 110.142 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 33.1 m -62.44 -43.39 98.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.897 179.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 28' ' ' ASP . . . -60.78 -48.79 80.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.616 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.499 ' NE2' HH21 ' A' ' 39' ' ' ARG . 61.9 mm-40 -50.08 -46.13 53.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.685 -179.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -70.14 -52.17 25.64 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.636 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.532 ' O ' ' N ' ' A' ' 31' ' ' ASP . 3.5 m80 -61.01 -24.84 66.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.079 -179.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 24' ' ' ALA . 33.7 t0 -61.31 -41.19 96.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.78 0.324 . . . . 0.0 110.242 179.449 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.2 tptt -65.54 -44.55 86.52 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.229 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -84.17 -64.43 1.16 Allowed 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.304 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' A' ' 27' ' ' HIS . 5.5 m-20 -113.63 102.79 55.18 Favored Pre-proline 0 CA--C 1.54 0.591 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.88 -179.185 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -70.62 -28.14 21.5 Favored 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 121.739 1.626 . . . . 0.0 112.216 -178.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 57.3 t -62.81 -46.91 95.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.698 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 60.5 t -64.22 -45.38 96.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.23 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.28 -36.85 85.03 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.444 -0.503 . . . . 0.0 110.789 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -57.77 -55.3 36.67 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.062 0.458 . . . . 0.0 110.915 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -63.19 -31.17 72.25 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.72 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.619 ' SG ' ' ND1' ' A' ' 20' ' ' HIS . 7.3 t -60.58 -49.42 77.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.268 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.499 HH21 ' NE2' ' A' ' 25' ' ' GLN . 4.3 mpt_? -60.87 -39.54 89.55 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 tt -57.11 -45.78 83.17 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 119.952 -0.699 . . . . 0.0 110.079 -179.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.402 ' CE1' ' OG1' ' A' ' 45' ' ' THR . 10.3 t80 -56.53 -47.82 78.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.967 0.413 . . . . 0.0 110.491 179.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.25 -51.88 67.57 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.933 -178.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.456 ' C ' ' SD ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -51.0 -63.72 1.04 Allowed 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 120.79 0.328 . . . . 0.0 111.351 -179.365 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.405 ' HG3' ' N ' ' A' ' 45' ' ' THR . 3.8 pt20 -57.7 -37.75 74.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.835 -179.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.405 ' N ' ' HG3' ' A' ' 44' ' ' GLN . 91.2 m -69.16 -42.65 75.62 Favored 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 120.302 -0.559 . . . . 0.0 111.232 -179.175 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.06 -36.16 91.89 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.548 ' HG2' ' N ' ' A' ' 48' ' ' LYS . 2.2 ptm -66.16 -43.12 87.86 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-O 120.921 0.391 . . . . 0.0 110.221 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.548 ' N ' ' HG2' ' A' ' 47' ' ' MET . 95.9 mttt -64.2 -42.97 96.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.247 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 72.2 mt -64.83 -50.06 77.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 120.436 -0.506 . . . . 0.0 111.573 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 47' ' ' MET . 1.9 m-20 -94.69 -178.09 4.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.372 -179.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 57.7 m -166.31 -46.05 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.885 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -122.91 98.47 5.92 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -171.83 128.57 0.64 Allowed Pre-proline 0 C--N 1.324 -0.538 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.518 178.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -69.99 -33.94 14.75 Favored 'Trans proline' 0 N--CA 1.495 1.578 0 C-N-CA 121.698 1.599 . . . . 0.0 112.051 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.5 -46.12 84.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.043 0.449 . . . . 0.0 110.055 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 76.7 m -67.61 -37.54 82.67 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.193 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -59.09 -46.81 87.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.609 -179.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.5 ttpt -71.81 -39.73 69.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.262 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -58.46 -44.84 89.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.128 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 22.7 mt -64.06 -42.32 97.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.81 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.7 t -59.5 -43.89 93.25 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.697 -179.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.26 -43.66 97.35 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.425 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.5 tp -61.84 -38.97 90.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.027 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 43.1 ttp -58.74 -44.73 90.58 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -61.33 -38.43 86.84 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.264 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -65.93 -40.39 91.38 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.474 -0.49 . . . . 0.0 111.034 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.2 mt -58.87 -58.46 8.51 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.632 0.253 . . . . 0.0 111.37 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -62.44 -37.16 84.81 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.077 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.95 -49.15 77.78 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.459 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.575 HD13 ' O ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -60.13 -47.78 84.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.226 -178.79 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -57.59 -32.13 66.87 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.45 -0.5 . . . . 0.0 109.809 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.3 tptt -63.09 -44.36 95.93 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.701 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.408 ' HG3' ' H ' ' A' ' 73' ' ' GLN . 26.6 mt-30 -61.99 -45.21 94.6 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.985 0.421 . . . . 0.0 110.723 -179.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.518 ' O ' ' N ' ' A' ' 76' ' ' ASP . 45.2 mt -65.38 -29.75 70.5 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.272 -179.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 49.2 -84.2 0.01 OUTLIER Glycine 0 CA--C 1.524 0.653 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.065 179.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 74' ' ' LEU . 85.6 m-20 -94.95 81.15 3.7 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -178.195 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.426 HD22 HD13 ' A' ' 74' ' ' LEU . 60.5 t-20 -134.11 121.19 21.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.211 0.529 . . . . 0.0 110.795 179.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.481 ' C ' ' H ' ' A' ' 80' ' ' ILE . 21.9 mt-10 -71.77 -37.33 70.5 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.742 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.48 4.64 0.23 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.178 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.481 ' H ' ' C ' ' A' ' 78' ' ' GLU . 10.0 mm -134.3 -48.39 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 40.6 p -65.42 -41.82 93.17 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.467 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -109.28 109.1 19.92 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.322 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -21.33 57.02 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.63 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 58.3 mt -56.06 -56.05 15.05 Favored 'Isoleucine or valine' 0 C--O 1.238 0.493 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.227 -178.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.449 ' H ' HG12 ' A' ' 85' ' ' VAL . 1.6 p -73.94 -34.26 38.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.072 179.026 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.53 ' O ' ' ND1' ' A' ' 89' ' ' HIS . . . -57.52 -44.95 93.6 Favored Glycine 0 CA--C 1.52 0.375 0 N-CA-C 110.454 -1.059 . . . . 0.0 110.454 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 12.6 t -66.71 -48.37 69.44 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.579 179.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.71 -44.94 82.06 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.938 -179.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.53 ' ND1' ' O ' ' A' ' 86' ' ' GLY . 0.0 OUTLIER -59.56 -43.0 93.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.255 179.874 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.504 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -61.85 -45.14 95.08 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.413 -178.587 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -66.93 -41.5 86.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -63.78 -47.31 81.42 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 121.029 -0.268 . . . . 0.0 111.254 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -64.15 -45.12 89.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.896 0.379 . . . . 0.0 110.702 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.98 -41.94 90.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 29.8 tp -62.89 -45.0 94.6 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.271 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -61.53 -40.06 93.31 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.659 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 29.7 tpp -63.67 -50.05 70.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.975 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -59.63 -47.52 85.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -178.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -59.44 -40.94 88.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.499 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -59.08 -47.51 85.0 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.199 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.438 ' HB1' ' CZ ' ' A' ' 118' ' ' PHE . . . -68.86 -44.44 73.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.022 0.439 . . . . 0.0 110.941 179.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -62.25 -40.09 95.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.368 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -63.25 -41.22 99.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.729 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -62.42 -37.98 87.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.461 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -62.17 -47.98 82.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.95 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 56.3 ttp180 -63.44 -40.82 98.17 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.429 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.38 -6.11 3.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.714 -179.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 75.19 30.08 59.41 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 179.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.569 ' O ' ' SD ' ' A' ' 114' ' ' MET . 0.9 OUTLIER -106.67 111.51 24.09 Favored 'General case' 0 C--O 1.222 -0.391 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.751 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -100.32 135.07 42.32 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.25 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -164.79 149.99 9.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.14 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 46.6 pttt -59.76 -34.73 73.36 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 120.961 0.41 . . . . 0.0 110.978 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -55.44 -35.63 65.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.158 -179.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.569 ' SD ' ' O ' ' A' ' 109' ' ' ARG . 71.0 mtp -62.28 -42.05 99.02 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.791 -179.56 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 81.1 mt -60.96 -48.47 88.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.063 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -64.16 -34.91 79.15 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.261 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 6.5 t -61.05 -45.91 92.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.91 -179.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.438 ' CZ ' ' HB1' ' A' ' 101' ' ' ALA . 56.3 m-85 -64.28 -40.76 96.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.588 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -60.54 -50.24 74.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.024 0.44 . . . . 0.0 110.187 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 18.8 m -57.9 -41.59 82.91 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.292 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.412 ' O ' HG12 ' A' ' 125' ' ' ILE . . . -57.08 -45.07 83.63 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.123 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 39.1 p -60.26 -42.13 94.7 Favored 'General case' 0 C--O 1.244 0.808 0 CA-C-O 121.278 0.561 . . . . 0.0 111.645 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 62.9 mt -59.98 -39.88 87.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.729 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 97.8 mt -62.13 -41.22 98.05 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.104 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.505 HG21 ' HB3' ' A' ' 142' ' ' ARG . 28.5 mm -55.38 -44.71 76.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.067 -0.653 . . . . 0.0 109.359 -179.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -58.44 -43.32 88.72 Favored 'General case' 0 C--O 1.25 1.119 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.191 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.59 ' O ' HG22 ' A' ' 130' ' ' VAL . 67.5 t -58.19 -28.77 35.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.617 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.481 HD11 HD12 ' A' ' 90' ' ' LEU . 70.5 mt -77.23 -44.16 30.89 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.16 0 CA-C-O 121.06 0.457 . . . . 0.0 110.539 178.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.498 HG22 HD22 ' A' ' 134' ' ' LEU . 82.6 p -49.89 -34.03 19.0 Favored 'General case' 0 CA--C 1.516 -0.361 0 C-N-CA 120.201 -0.6 . . . . 0.0 110.429 -178.191 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.59 HG22 ' O ' ' A' ' 127' ' ' VAL . 5.4 m -41.41 -32.93 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 C-N-CA 120.155 -0.618 . . . . 0.0 111.122 179.241 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -63.01 -41.5 99.59 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.271 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 129' ' ' THR . . . 104.15 -32.75 7.2 Favored Glycine 0 N--CA 1.465 0.581 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -85.45 66.43 9.68 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.77 0.319 . . . . 0.0 110.155 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.498 HD22 HG22 ' A' ' 129' ' ' THR . 21.2 tp -86.4 122.18 30.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.261 -179.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.429 ' H ' HG22 ' A' ' 135' ' ' THR . 1.2 t -86.99 157.82 19.38 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.129 0.49 . . . . 0.0 111.0 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -56.63 -34.57 67.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.393 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 -48.23 -48.84 34.87 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.679 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -66.52 -39.4 88.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.423 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 58.1 t -59.98 -44.43 94.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.384 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.18 -41.0 70.89 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.584 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 3.4 m170 -66.82 -48.86 67.62 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.638 -178.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . 0.505 ' HB3' HG21 ' A' ' 125' ' ' ILE . 5.5 ppt_? -62.51 -38.06 88.46 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.345 -179.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -64.3 -40.19 95.43 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.94 0.4 . . . . 0.0 110.815 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -73.69 -40.13 63.86 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.688 -179.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -62.23 -42.21 99.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.32 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . 0.433 HH11 HH11 ' A' ' 142' ' ' ARG . 61.1 mtp180 -66.69 -40.88 88.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.451 179.526 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 22.7 t90 -62.48 -49.93 73.44 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.789 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 4.9 mmtm -63.35 -39.84 95.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.102 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -55.83 -53.13 60.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.603 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 62.0 p -71.8 -38.8 70.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.584 -179.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' TYR . . . . . 0.497 ' O ' ' SG ' ' A' ' 155' ' ' CYS . 62.3 t80 -51.07 -53.58 32.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.94 -178.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 57.9 mt -70.13 -45.39 76.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.52 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' HIS . . . . . 0.669 ' ND1' ' N ' ' A' ' 154' ' ' ASN . 0.0 OUTLIER -57.85 -57.18 13.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.801 -179.496 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' ASN . . . . . 0.669 ' N ' ' ND1' ' A' ' 153' ' ' HIS . 0.3 OUTLIER -59.78 -39.97 86.71 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.103 -178.489 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . 0.497 ' SG ' ' O ' ' A' ' 151' ' ' TYR . 56.3 m -58.06 -36.33 72.64 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 119.654 -0.818 . . . . 0.0 109.264 179.4 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.663 ' O ' HD13 ' A' ' 156' ' ' LEU . 2.7 tm? -64.61 -42.6 95.43 Favored 'General case' 0 N--CA 1.436 -1.169 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.709 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.407 ' H ' ' HG2' ' A' ' 157' ' ' LYS . 53.7 mmtt -63.92 -41.86 97.54 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.398 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -73.5 -15.91 61.3 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.58 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 81.1 45.73 7.41 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.56 -1.016 . . . . 0.0 110.56 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -120.13 142.64 48.74 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.725 0.297 . . . . 0.0 110.39 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 28.5 m -84.22 116.64 65.88 Favored Pre-proline 0 CA--C 1.544 0.74 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.925 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -54.43 153.28 23.29 Favored 'Trans proline' 0 N--CA 1.503 2.043 0 C-N-CA 121.909 1.739 . . . . 0.0 112.615 179.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 . . . . . 0 N--CA 1.464 0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.383 179.614 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.604 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.42 162.25 50.55 Favored Pre-proline 0 CA--C 1.535 0.386 0 CA-C-O 120.672 0.272 . . . . 0.0 110.481 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -66.73 -159.64 0.04 OUTLIER 'Trans proline' 0 N--CA 1.494 1.512 0 C-N-CA 122.439 2.092 . . . . 0.0 111.593 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 157' ' ' GLU . . . . . 0.54 ' CD ' ' H ' ' B' ' 157' ' ' GLU . 2.1 pm0 -102.3 115.09 29.84 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 158' ' ' LEU . . . . . 0.543 ' H ' HD12 ' B' ' 158' ' ' LEU . 0.0 OUTLIER -121.46 140.54 52.04 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 -179.257 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -79.64 144.14 34.04 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.076 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 160' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.14 -39.11 88.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.838 0.352 . . . . 0.0 110.97 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 161' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -64.45 -48.62 74.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.032 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 162' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -61.19 -37.12 81.8 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.596 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 12.2 mt -60.01 -43.25 95.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.245 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -63.98 -36.42 83.92 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.32 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 165' ' ' ALA . . . . . . . . . . . . . . . -59.01 -48.73 80.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.29 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.62 -43.86 83.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.818 -178.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.46 -54.05 50.16 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.892 -178.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 168' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -52.16 -47.58 65.38 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.196 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -61.84 -47.52 84.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.401 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 7.5 tt -56.66 -44.77 81.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.35 -178.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -59.98 -41.01 97.7 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 172' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -59.72 -43.76 94.01 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.489 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -63.19 -48.61 77.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.325 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 10.4 mp -64.51 -35.76 82.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.261 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 5.2 tp -59.5 -46.0 90.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.099 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.427 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.544 -179.991 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 182' ' ' TYR . . . . . . . . . . . . . 3.9 t80 . . . . . 0 CA--C 1.528 0.112 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 183' ' ' LEU . . . . . . . . . . . . . 89.7 mt -60.62 -43.48 97.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.399 -178.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 184' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -67.55 -33.79 75.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.092 0.473 . . . . 0.0 110.485 178.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -62.58 -55.64 25.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.549 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 186' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.356 0 CA-C-O 121.107 0.479 . . . . 0.0 110.412 -179.712 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.578 HD12 ' N ' ' A' ' 4' ' ' LEU . 9.4 mp . . . . . 0 CA--C 1.513 -0.447 0 CA-C-O 121.111 0.481 . . . . 0.0 110.671 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.94 154.48 68.05 Favored Pre-proline 0 N--CA 1.446 -0.658 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.148 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_exo -61.36 148.37 93.11 Favored 'Trans proline' 0 N--CA 1.501 1.922 0 C-N-CA 122.566 2.177 . . . . 0.0 112.199 179.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.2 mt -79.43 151.15 74.58 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.922 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo -56.54 167.38 2.84 Favored 'Trans proline' 0 N--CA 1.497 1.729 0 C-N-CA 122.586 2.191 . . . . 0.0 111.982 179.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -36.24 143.67 0.1 Allowed 'Trans proline' 0 C--N 1.313 -1.309 0 C-N-CA 122.912 2.408 . . . . 0.0 111.582 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.5 tp -102.95 106.82 52.57 Favored Pre-proline 0 CA--C 1.541 0.6 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.918 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -48.92 165.54 0.18 Allowed 'Trans proline' 0 N--CA 1.491 1.355 0 C-N-CA 122.335 2.024 . . . . 0.0 112.216 178.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.24 -41.39 61.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.783 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.41 -12.58 0.72 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.858 -179.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.461 ' HB3' HD11 ' A' ' 17' ' ' ILE . 34.7 m-85 -109.83 24.33 13.19 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.35 0.595 . . . . 0.0 110.727 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.92 -32.78 74.66 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.42 178.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.8 p -64.15 -48.05 77.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.833 0.349 . . . . 0.0 111.791 -179.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.461 HD11 ' HB3' ' A' ' 14' ' ' PHE . 44.8 pt -76.4 -16.23 15.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.521 -179.271 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -45.34 -46.39 12.98 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.528 -179.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 58.9 m80 -59.4 -43.35 92.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.971 0.415 . . . . 0.0 110.887 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 75.8 m80 -62.5 -41.61 98.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.925 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.0 mt -62.79 -47.57 82.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.806 0.336 . . . . 0.0 111.301 -178.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 50.0 mmm-85 -67.65 -37.33 82.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.859 0.361 . . . . 0.0 110.264 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 63.2 m -61.4 -43.95 97.99 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.182 179.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.531 ' O ' ' N ' ' A' ' 28' ' ' ASP . . . -66.86 -41.19 87.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.577 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -52.09 -46.78 65.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.496 -179.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -67.84 -46.01 73.01 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.642 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.558 ' O ' ' N ' ' A' ' 31' ' ' ASP . 0.8 OUTLIER -69.74 -22.95 63.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.544 179.81 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.531 ' N ' ' O ' ' A' ' 24' ' ' ALA . 55.2 t0 -58.95 -47.53 84.75 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.588 -179.436 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -63.5 -46.24 87.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.03 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 56.2 ttt85 -83.35 -62.3 1.62 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.903 0.382 . . . . 0.0 111.205 -179.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.558 ' N ' ' O ' ' A' ' 27' ' ' HIS . 28.7 m-20 -107.98 94.61 13.06 Favored Pre-proline 0 CA--C 1.54 0.566 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.18 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -69.21 -31.41 23.02 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 122.117 1.878 . . . . 0.0 111.978 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 69.3 t -65.49 -46.83 88.76 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.07 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 85.1 t -62.28 -43.98 98.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.949 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.49 -40.28 94.01 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.557 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -54.48 -50.79 66.93 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -65.76 -40.0 91.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.427 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 10.9 t -58.62 -45.93 88.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.574 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -58.74 -41.96 87.72 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 tp -56.05 -44.27 78.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.087 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -57.73 -46.03 85.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.093 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.49 -53.42 58.27 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.674 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.467 ' SD ' ' SD ' ' A' ' 47' ' ' MET . 10.3 tmm? -52.94 -46.91 68.37 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 120.855 0.36 . . . . 0.0 110.686 -179.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -58.51 -44.87 89.66 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.723 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.6 m -74.76 -24.83 58.75 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.761 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -71.54 -52.45 12.66 Favored Glycine 0 CA--C 1.527 0.795 0 C-N-CA 121.064 -0.588 . . . . 0.0 111.819 -179.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.467 ' SD ' ' SD ' ' A' ' 43' ' ' MET . 6.1 ptt? -65.65 -34.36 78.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.689 0.28 . . . . 0.0 110.263 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -61.64 -46.09 91.26 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.608 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 79.6 mt -71.16 -51.59 33.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.005 0.431 . . . . 0.0 111.105 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.79 118.4 5.68 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.024 -178.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.7 m -111.38 -68.84 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.219 179.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.465 ' C ' HG22 ' A' ' 53' ' ' THR . 24.2 mmtp -132.51 101.62 5.4 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.216 0.531 . . . . 0.0 109.971 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.465 HG22 ' C ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -178.93 101.86 0.2 Allowed Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.378 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -52.22 -35.16 62.3 Favored 'Trans proline' 0 N--CA 1.496 1.67 0 C-N-CA 122.443 2.096 . . . . 0.0 112.505 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.413 ' H ' ' HG2' ' A' ' 55' ' ' GLU . 3.2 mm-40 -55.36 -56.97 14.01 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.652 0.739 . . . . 0.0 110.401 -179.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 92.8 m -64.64 -28.78 69.85 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.551 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 -58.68 -49.43 77.6 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 121.032 0.444 . . . . 0.0 110.68 -179.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.88 -42.21 88.95 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.048 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -57.17 -45.88 83.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.648 -179.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -61.63 -42.21 98.56 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.642 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 69.8 m -57.75 -42.01 83.11 Favored 'General case' 0 C--N 1.316 -0.884 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.036 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.6 tptt -64.14 -43.4 95.35 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.333 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 45.9 tp -62.79 -41.58 99.33 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.283 -179.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 36.9 ttm -63.67 -39.56 94.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.827 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -62.17 -38.87 90.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.234 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -62.64 -43.4 98.9 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.165 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.4 mt -59.84 -44.25 94.17 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.356 -0.537 . . . . 0.0 110.415 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -64.36 -41.2 96.85 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.37 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.93 -41.84 86.35 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.415 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.558 HD13 ' O ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -61.37 -42.93 99.51 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.223 0.535 . . . . 0.0 110.001 -178.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.96 -45.48 93.46 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.534 0.683 . . . . 0.0 109.786 -179.422 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -61.17 -39.54 90.51 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.609 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -56.48 -50.49 71.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.515 -179.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 72.1 mt -68.7 -30.82 69.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.712 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.425 ' O ' ' OD1' ' A' ' 76' ' ' ASP . . . 88.7 -80.92 1.57 Allowed Glycine 0 CA--C 1.521 0.462 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' A' ' 75' ' ' GLY . 0.8 OUTLIER -150.58 66.71 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.785 -179.699 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 -74.73 136.44 41.77 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -59.51 -40.5 87.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.903 0.382 . . . . 0.0 110.983 -179.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.99 -32.66 74.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.324 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 44.5 mm -92.59 -47.17 14.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.843 0.354 . . . . 0.0 111.049 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 40.9 p -62.13 -41.36 98.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.45 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -115.15 113.99 24.7 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-O 121.28 0.562 . . . . 0.0 110.336 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.52 ' O ' ' SG ' ' A' ' 87' ' ' CYS . 18.0 pt-20 -60.73 -31.47 70.77 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.631 -179.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 65.6 mt -50.26 -60.56 0.8 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.531 0 CA-C-O 121.03 0.443 . . . . 0.0 111.747 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -68.19 -34.29 65.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -60.36 -37.38 93.03 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 -179.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.604 ' SG ' ' CE1' ' A' ' 131' ' ' PHE . 68.1 m -68.32 -50.23 54.87 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.418 ' O ' ' ND2' ' A' ' 92' ' ' ASN . . . -52.59 -45.36 66.48 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.693 -179.282 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 49.8 t60 -64.29 -46.16 84.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.186 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.61 -42.3 98.69 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.494 -178.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -66.57 -44.79 81.33 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.193 -179.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.418 ' ND2' ' O ' ' A' ' 88' ' ' ALA . 2.1 m-80 -62.4 -42.38 99.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.818 -179.388 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -63.77 -44.41 93.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.65 -43.16 99.37 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.796 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.0 tt -65.02 -43.44 92.45 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.39 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -55.84 -42.97 76.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.985 -179.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 40.1 tpp -65.37 -47.04 77.78 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.636 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.621 ' CG ' ' NE2' ' A' ' 141' ' ' HIS . 69.9 t80 -64.07 -60.03 3.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.965 -179.354 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.56 -43.13 24.97 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.586 -179.089 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -59.14 -45.94 89.66 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.591 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -70.77 -47.32 60.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.059 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -62.79 -40.39 97.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.86 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -62.56 -44.28 96.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.856 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.76 -39.38 87.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.028 0.442 . . . . 0.0 110.161 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -56.7 -43.87 80.94 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.092 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 57.5 ttp180 -61.99 -43.41 98.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.117 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.06 -4.8 3.8 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.475 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 82.78 22.5 57.85 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -94.33 102.14 14.12 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.867 0.365 . . . . 0.0 110.696 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -106.38 134.87 48.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.202 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -166.36 173.19 10.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.381 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -63.53 -31.09 72.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.242 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -58.33 -34.3 70.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.275 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 3.6 mmm -60.75 -43.57 97.79 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 33.6 mm -62.82 -48.74 86.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.32 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 33.6 mmtt -58.29 -42.74 87.28 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.135 -179.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.434 ' OG ' ' N ' ' A' ' 118' ' ' PHE . 54.1 p -58.23 -58.74 7.14 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.561 -0.455 . . . . 0.0 111.418 -178.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.434 ' N ' ' OG ' ' A' ' 117' ' ' SER . 45.9 m-85 -56.75 -43.41 80.72 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.954 -179.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -57.7 -55.89 28.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.523 0.677 . . . . 0.0 110.024 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 86.3 m -61.35 -38.97 88.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.207 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -54.66 -46.32 74.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.588 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 82.0 p -61.09 -44.27 97.62 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.068 0.461 . . . . 0.0 110.567 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.569 ' O ' HG13 ' A' ' 127' ' ' VAL . 10.5 mp -62.24 -40.66 96.9 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.003 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.46 ' O ' HG22 ' A' ' 127' ' ' VAL . 52.4 mt -59.74 -40.53 88.38 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-O 121.582 0.706 . . . . 0.0 110.35 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.535 ' O ' HG23 ' A' ' 129' ' ' THR . 3.5 mm -62.16 -41.69 92.27 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.276 0 C-N-CA 120.164 -0.614 . . . . 0.0 110.658 179.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.415 ' O ' HG13 ' A' ' 130' ' ' VAL . 96.0 m-20 -58.58 -45.27 89.39 Favored 'General case' 0 C--O 1.243 0.742 0 CA-C-O 121.076 0.465 . . . . 0.0 111.715 -178.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.752 ' O ' HG22 ' A' ' 130' ' ' VAL . 0.7 OUTLIER -63.59 -31.84 54.49 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.698 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.326 179.648 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.409 HD12 ' HA ' ' A' ' 125' ' ' ILE . 76.4 mt -72.21 -47.92 51.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.771 0.796 . . . . 0.0 110.334 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.535 HG23 ' O ' ' A' ' 125' ' ' ILE . 68.9 p -50.31 -38.53 42.03 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.745 -178.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.752 HG22 ' O ' ' A' ' 127' ' ' VAL . 2.5 m -44.08 -15.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 C-N-CA 119.919 -0.712 . . . . 0.0 111.464 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.604 ' CE1' ' SG ' ' A' ' 87' ' ' CYS . 13.2 m-85 -62.83 -9.73 10.6 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.137 -178.363 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 111.06 -68.6 0.22 Allowed Glycine 0 CA--C 1.519 0.313 0 N-CA-C 111.609 -0.597 . . . . 0.0 111.609 179.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.525 ' OE1' ' N ' ' A' ' 133' ' ' GLU . 56.4 mp0 -123.08 127.9 49.38 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-O 120.978 0.418 . . . . 0.0 111.026 -178.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 12.2 tp -125.18 158.67 33.4 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.322 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.403 ' H ' HG22 ' A' ' 135' ' ' THR . 3.0 t -76.7 150.04 36.35 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.452 0.644 . . . . 0.0 110.613 179.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -60.24 -35.4 75.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.346 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -46.87 -42.0 16.7 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.488 0.661 . . . . 0.0 109.952 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -73.3 -35.56 66.14 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.744 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 40.7 t -57.56 -55.75 19.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.299 -178.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -62.32 -37.31 85.11 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.454 -0.498 . . . . 0.0 109.834 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.621 ' NE2' ' CG ' ' A' ' 98' ' ' PHE . 52.2 t-80 -54.48 -45.99 73.31 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . 0.498 ' NH1' ' CZ ' ' A' ' 146' ' ' ARG . 78.6 ttt-85 -60.5 -44.04 96.4 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.329 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -61.53 -38.48 87.56 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.392 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' TYR . . . . . 0.401 ' HD1' ' N ' ' A' ' 144' ' ' TYR . 2.7 m-85 -72.49 -41.72 65.66 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.694 -179.177 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -59.56 -44.87 93.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.756 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . 0.498 ' CZ ' ' NH1' ' A' ' 142' ' ' ARG . 77.8 mtm180 -66.01 -43.74 86.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.74 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -59.89 -47.42 85.84 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.354 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -60.57 -41.52 94.77 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.522 -178.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.56 -47.07 87.0 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.131 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 59.1 p -71.71 -43.72 65.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.49 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -53.99 -51.19 64.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.765 -178.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 52.3 mt -64.33 -45.16 96.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.278 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 50.4 t60 -60.25 -45.82 91.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.267 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -66.68 -36.62 82.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.834 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.87 -63.26 1.21 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.085 -179.084 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.569 HD12 ' N ' ' A' ' 157' ' ' LYS . 4.5 pp -61.14 -29.84 70.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.074 -179.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.569 ' N ' HD12 ' A' ' 156' ' ' LEU . 8.7 ttmt -59.55 -42.22 91.9 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.432 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -82.01 -12.02 58.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.11 -179.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 85.46 43.82 6.4 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -117.59 141.04 48.84 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.079 0.466 . . . . 0.0 110.988 -179.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 1.5 m -66.65 128.7 93.98 Favored Pre-proline 0 CA--C 1.54 0.575 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.176 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -63.32 137.92 63.31 Favored 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 121.826 1.684 . . . . 0.0 112.108 178.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.273 179.428 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 0.144 0 N-CA-C 110.296 -1.121 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 2.6 m -126.21 130.54 23.92 Favored Pre-proline 0 N--CA 1.467 0.419 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -61.89 124.1 13.86 Favored 'Trans proline' 0 N--CA 1.493 1.493 0 C-N-CA 122.48 2.12 . . . . 0.0 112.669 -178.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 157' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -59.78 142.48 53.22 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.989 0.423 . . . . 0.0 110.514 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -135.16 153.09 52.09 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.997 -178.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -76.36 123.25 25.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.023 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 160' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -58.04 -39.48 78.5 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.583 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 161' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -62.57 -48.04 81.19 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.137 0.494 . . . . 0.0 110.412 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 162' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -65.8 -38.31 88.62 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.293 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 13.0 tp -57.35 -47.05 82.6 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.347 -178.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -64.71 -35.28 80.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.051 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 165' ' ' ALA . . . . . . . . . . . . . . . -58.31 -47.74 82.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.165 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.07 -49.66 66.82 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.572 -179.045 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.02 -56.24 15.52 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.047 -178.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 168' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -50.7 -49.09 58.33 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.8 -178.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -60.4 -48.95 79.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.902 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 68.9 tp -54.78 -46.37 74.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.805 -178.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -57.51 -43.25 94.16 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 -179.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 172' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -57.32 -44.56 84.27 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -62.99 -45.56 91.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.168 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 91.0 mt -63.51 -38.33 90.72 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.221 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 175' ' ' LEU . . . . . 0.612 HD13 ' O ' ' B' ' 175' ' ' LEU . 0.3 OUTLIER -59.37 -44.73 92.68 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.117 -178.782 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.679 0 C-N-CA 120.131 -0.628 . . . . 0.0 111.083 -179.807 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 182' ' ' TYR . . . . . . . . . . . . . 1.2 p90 . . . . . 0 CA--C 1.529 0.147 0 CA-C-O 121.057 0.456 . . . . 0.0 110.043 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 183' ' ' LEU . . . . . . . . . . . . . 10.4 tp -58.27 -46.67 85.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.788 -177.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 184' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -68.07 -35.17 77.76 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.34 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -70.0 -42.09 73.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.818 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 186' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.494 -179.693 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.4 mt . . . . . 0 CA--C 1.518 -0.275 0 CA-C-O 120.954 0.406 . . . . 0.0 110.684 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.49 155.26 2.7 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.201 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -66.2 146.03 80.19 Favored 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 122.758 2.305 . . . . 0.0 112.123 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 20.6 mt -73.58 140.48 78.68 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.231 -179.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -69.39 167.39 24.08 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.481 2.12 . . . . 0.0 112.136 179.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -38.59 126.29 1.03 Allowed 'Trans proline' 0 C--N 1.316 -1.173 0 C-N-CA 122.449 2.099 . . . . 0.0 111.618 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.41 HD12 ' CE1' ' A' ' 59' ' ' PHE . 1.5 tt -99.23 116.87 64.84 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.384 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.51 149.93 29.13 Favored 'Trans proline' 0 N--CA 1.496 1.644 0 C-N-CA 122.323 2.015 . . . . 0.0 111.754 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.48 -19.97 65.9 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.851 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -59.78 -24.84 64.42 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.754 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -108.38 21.01 17.9 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 121.269 0.557 . . . . 0.0 110.483 -179.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.421 ' NZ ' ' NE2' ' A' ' 19' ' ' HIS . 7.0 tmtm? -59.52 -26.59 65.45 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.05 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.6 t -64.86 -47.96 76.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.86 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.402 HG12 ' H ' ' A' ' 17' ' ' ILE . 30.0 pt -85.3 -6.14 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.068 -179.452 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -55.36 -45.6 76.48 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.67 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.524 ' CD2' HH21 ' A' ' 22' ' ' ARG . 22.2 m170 -56.48 -37.49 70.41 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.234 0.54 . . . . 0.0 110.881 -179.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.56 -40.94 84.92 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.004 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.3 mt -59.7 -48.71 80.61 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.936 -178.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.524 HH21 ' CD2' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -62.2 -38.42 89.07 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.359 179.591 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 99.5 m -62.8 -44.06 97.16 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.212 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' A' ' 28' ' ' ASP . . . -67.44 -41.8 84.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.548 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -52.59 -45.23 66.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.322 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -74.13 -47.39 36.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.046 0.45 . . . . 0.0 110.463 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.54 ' O ' ' N ' ' A' ' 31' ' ' ASP . 11.5 m80 -65.87 -21.86 66.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.579 -179.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 24' ' ' ALA . 5.9 t0 -56.77 -35.35 68.56 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.764 -0.375 . . . . 0.0 110.185 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.5 tptm -76.6 -36.3 57.59 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.937 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -90.21 -63.97 1.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.892 -179.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.54 ' N ' ' O ' ' A' ' 27' ' ' HIS . 37.5 m-20 -110.81 94.22 19.39 Favored Pre-proline 0 CA--C 1.537 0.443 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -69.15 -31.23 23.7 Favored 'Trans proline' 0 N--CA 1.494 1.518 0 C-N-CA 122.373 2.048 . . . . 0.0 111.875 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 94.3 t -62.65 -45.71 98.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.133 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.473 ' O ' ' SG ' ' A' ' 38' ' ' CYS . 65.3 t -67.86 -44.63 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.376 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.77 -35.88 77.53 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.287 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -63.02 -53.82 47.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.128 0.49 . . . . 0.0 110.624 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -65.19 -36.22 83.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.576 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.473 ' SG ' ' O ' ' A' ' 34' ' ' VAL . 95.1 m -57.52 -44.83 85.38 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.114 -179.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.8 mmt85 -64.17 -40.49 96.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.144 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 64.0 tp -56.82 -46.55 81.59 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.521 -179.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.408 ' O ' ' OG1' ' A' ' 45' ' ' THR . 16.2 t80 -59.12 -42.76 91.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.112 0.482 . . . . 0.0 110.071 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' A' ' 46' ' ' GLY . . . -63.68 -50.65 68.38 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.444 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 19.8 ttp -51.45 -65.99 0.46 Allowed 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 121.07 0.462 . . . . 0.0 111.408 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -51.59 -39.78 58.58 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.519 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 41' ' ' TYR . 40.5 m -70.74 -39.72 73.14 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.682 179.379 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -54.64 -62.34 6.33 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 111.471 -0.652 . . . . 0.0 111.471 -178.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.437 ' O ' ' O ' ' A' ' 50' ' ' ASP . 14.7 ptp -59.39 -38.67 81.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.092 0.472 . . . . 0.0 111.055 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.408 ' N ' ' CG ' ' A' ' 47' ' ' MET . 11.4 ttpt -59.93 -42.21 93.48 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.55 -178.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 71.4 mt -64.25 -46.58 92.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.18 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.505 ' OD1' ' O ' ' A' ' 46' ' ' GLY . 9.1 p-10 -98.18 -173.34 2.56 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 120.839 0.352 . . . . 0.0 110.433 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.437 ' O ' ' OG ' ' A' ' 51' ' ' SER . 6.5 t -136.2 55.15 1.86 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.413 -179.257 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.2 mttp 65.26 117.66 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.029 0.442 . . . . 0.0 110.505 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.489 HG23 ' H ' ' A' ' 56' ' ' CYS . 3.6 t -159.15 145.32 12.3 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.932 178.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -41.64 -54.99 2.5 Favored 'Trans proline' 0 C--N 1.313 -1.301 0 C-N-CA 122.242 1.961 . . . . 0.0 112.504 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -48.45 -61.88 1.78 Allowed 'General case' 0 C--O 1.241 0.644 0 CA-C-O 121.43 0.634 . . . . 0.0 110.532 -179.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.572 ' SG ' ' N ' ' A' ' 57' ' ' ARG . 8.3 p -57.66 -43.91 85.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.526 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.572 ' N ' ' SG ' ' A' ' 56' ' ' CYS . 52.8 ttt180 -44.06 -41.67 5.67 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.643 -179.576 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.65 -60.43 2.32 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.302 0.573 . . . . 0.0 111.016 -179.415 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.41 ' CE1' HD12 ' A' ' 10' ' ' LEU . 30.9 t80 -62.67 -47.36 84.03 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.299 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 56' ' ' CYS . 6.8 tp -56.51 -47.45 79.32 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.775 -178.093 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.9 t -56.95 -40.69 76.91 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.1 mmtt -63.15 -42.27 99.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.404 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 42.8 tp -60.39 -44.94 95.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.13 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 26.5 ttt -65.87 -39.97 91.19 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.195 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -56.74 -45.77 81.76 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.394 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -62.06 -44.81 95.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.426 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 mt -54.36 -51.81 63.6 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.779 -179.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -58.14 -49.85 75.56 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.135 0.493 . . . . 0.0 110.504 -179.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.59 -40.89 88.92 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.683 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.501 HD13 ' O ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -60.21 -41.24 92.62 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.077 -178.04 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -62.62 -40.07 95.8 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.993 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -59.91 -39.13 84.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.356 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -63.99 -50.98 66.43 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.22 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 60.8 mt -69.07 -31.43 70.18 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.719 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.14 -84.22 1.16 Allowed Glycine 0 N--CA 1.452 -0.298 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.463 ' O ' ' O ' ' A' ' 77' ' ' ASN . 34.4 m-20 -113.65 -65.99 1.13 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.959 0.409 . . . . 0.0 111.015 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.463 ' O ' ' O ' ' A' ' 76' ' ' ASP . 23.6 t-20 47.5 103.59 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.853 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.424 ' CB ' HG11 ' A' ' 85' ' ' VAL . 47.9 mt-10 -43.52 -45.26 6.44 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.74 -178.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.555 ' HA ' HG13 ' A' ' 85' ' ' VAL . . . -55.02 -28.62 53.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.496 -179.58 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.417 ' N ' ' O ' ' A' ' 77' ' ' ASN . 46.7 mm -98.82 -49.43 11.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.722 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.457 ' H ' ' HG1' ' A' ' 81' ' ' THR . 0.0 OUTLIER -61.94 -39.45 92.12 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.733 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -122.24 114.52 20.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.078 0.466 . . . . 0.0 110.714 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -62.05 -25.1 67.48 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.628 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 31.1 mm -48.67 -57.21 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.234 0.54 . . . . 0.0 110.492 -178.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.555 HG13 ' HA ' ' A' ' 79' ' ' ALA . 2.7 p -75.82 -32.58 24.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.273 -0.422 . . . . 0.0 109.979 179.004 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.653 ' O ' ' ND1' ' A' ' 89' ' ' HIS . . . -59.02 -41.42 96.44 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.183 -1.167 . . . . 0.0 110.183 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 7.8 t -70.86 -48.9 51.4 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 122.399 -0.471 . . . . 0.0 110.046 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.55 ' O ' ' ND2' ' A' ' 92' ' ' ASN . . . -50.09 -52.55 33.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.056 -179.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.653 ' ND1' ' O ' ' A' ' 86' ' ' GLY . 1.4 p-80 -59.79 -44.81 93.77 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.088 0.471 . . . . 0.0 110.646 -179.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.542 ' N ' ' CG ' ' A' ' 89' ' ' HIS . 1.0 OUTLIER -58.3 -42.23 86.18 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.853 -178.81 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -61.6 -44.2 97.45 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.694 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.55 ' ND2' ' O ' ' A' ' 88' ' ' ALA . 1.6 m-80 -63.92 -41.9 97.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.011 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -60.26 -49.18 78.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.694 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.38 -41.74 88.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.1 tp -59.62 -45.51 91.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.091 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -62.76 -40.83 98.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.047 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 13.8 tpp -64.07 -53.19 53.73 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.397 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -59.64 -49.39 77.92 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.491 -179.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.452 ' O ' ' ND2' ' A' ' 103' ' ' ASN . 2.7 mm? -60.35 -40.38 90.5 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.82 -179.302 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.585 ' CE2' ' OE1' ' A' ' 104' ' ' GLU . 89.6 t80 -53.89 -46.98 71.53 Favored 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.265 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.91 -48.36 63.51 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.064 0.459 . . . . 0.0 111.077 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.71 -39.04 73.16 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.366 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 99' ' ' LEU . 88.2 m-20 -62.22 -48.49 79.75 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.098 0.475 . . . . 0.0 110.706 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.585 ' OE1' ' CE2' ' A' ' 100' ' ' TYR . 18.0 mt-10 -68.31 -31.21 70.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.549 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -64.89 -42.15 95.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.661 -179.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -42.31 99.45 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.228 -179.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.04 -5.34 4.5 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.362 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 78.26 33.41 40.04 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 43.5 ttm-85 -105.19 106.09 16.43 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.568 ' CZ ' ' O ' ' A' ' 162' ' ' PRO . 14.4 m-85 -107.45 138.15 44.18 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.577 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.454 ' CG ' ' O ' ' A' ' 110' ' ' PHE . 23.9 m-70 -165.87 163.05 18.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.693 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.478 ' HA ' HD12 ' A' ' 115' ' ' ILE . 26.1 mtpp -59.01 -35.26 72.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.012 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.54 ' OD1' ' CD1' ' B' ' 182' ' ' TYR . 40.0 t-20 -58.56 -38.76 78.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.925 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 33.9 mmm -67.63 -38.86 84.48 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.478 HD12 ' HA ' ' A' ' 112' ' ' LYS . 97.9 mt -58.49 -48.07 86.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.203 0.525 . . . . 0.0 110.483 -178.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -70.5 -28.45 64.97 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.18 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 11.8 p -58.64 -44.15 89.95 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -68.93 -45.21 71.38 Favored 'General case' 0 C--O 1.227 -0.104 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.248 179.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -59.91 -55.43 34.16 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.808 0.814 . . . . 0.0 109.786 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 11.3 m -58.72 -45.21 90.09 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.229 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -52.53 -38.36 59.56 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.408 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.2 p -63.08 -38.69 92.19 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.3 0.572 . . . . 0.0 109.598 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.459 ' O ' HG23 ' A' ' 127' ' ' VAL . 49.9 mt -61.31 -42.26 98.37 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.484 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.55 -44.06 97.27 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.4 0.619 . . . . 0.0 111.164 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.1 mt -56.8 -42.4 77.6 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.095 0 C-N-CA 120.138 -0.625 . . . . 0.0 109.6 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.518 ' O ' ' OG1' ' A' ' 129' ' ' THR . 5.8 m-20 -61.05 -40.49 93.83 Favored 'General case' 0 C--O 1.248 1.018 0 CA-C-O 122.479 1.133 . . . . 0.0 109.778 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.632 ' O ' HG22 ' A' ' 130' ' ' VAL . 94.5 t -57.64 -33.23 44.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.125 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 59.8 mt -73.38 -42.81 56.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.226 0.536 . . . . 0.0 110.886 178.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.563 HG22 HD22 ' A' ' 134' ' ' LEU . 68.6 p -49.45 -33.94 15.44 Favored 'General case' 0 CA--C 1.51 -0.595 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.411 -177.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.632 HG22 ' O ' ' A' ' 127' ' ' VAL . 10.9 m -41.67 -36.13 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.011 179.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.41 ' N ' HG23 ' A' ' 130' ' ' VAL . 56.1 m-85 -64.89 -44.17 90.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.623 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 100.26 -17.26 57.19 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -91.87 60.44 3.89 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.563 HD22 HG22 ' A' ' 129' ' ' THR . 40.0 tp -111.05 137.31 48.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.528 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 22.2 p -82.13 154.55 25.47 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-O 121.353 0.597 . . . . 0.0 110.541 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -58.59 -34.16 70.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.466 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -52.11 -44.54 64.49 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.628 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.521 ' CB ' HD11 ' A' ' 134' ' ' LEU . 1.9 m120 -64.79 -37.85 89.0 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.824 0.345 . . . . 0.0 110.413 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 57.8 t -58.82 -43.87 89.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.166 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -64.18 -41.54 97.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.418 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 21.7 m80 -57.1 -43.11 81.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.953 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 10.8 ttm180 -60.71 -46.28 91.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.957 0.408 . . . . 0.0 110.043 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -62.64 -37.72 87.46 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.174 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -69.14 -47.55 64.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.341 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -56.17 -36.0 67.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.843 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 50.8 ttt180 -66.07 -48.13 72.03 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.025 0.44 . . . . 0.0 110.595 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 27.1 t90 -58.56 -44.61 89.77 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.309 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 20.9 mttm -63.4 -39.06 93.48 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.695 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -54.1 -51.78 63.08 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.712 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 9.8 p -72.24 -37.99 69.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.24 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -54.69 -49.14 71.39 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.796 -179.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 96.1 mt -66.64 -43.46 90.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.978 0.418 . . . . 0.0 110.737 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -57.14 -47.21 81.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.031 0.443 . . . . 0.0 110.627 -179.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' ASN . . . . . 0.529 ' ND2' ' OE1' ' B' ' 166' ' ' GLU . 88.2 m-20 -63.87 -39.44 94.21 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.267 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 93.5 m -63.64 -39.3 94.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.356 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.676 ' O ' HD12 ' A' ' 156' ' ' LEU . 0.6 OUTLIER -62.18 -45.82 91.68 Favored 'General case' 0 N--CA 1.441 -0.875 0 CA-C-O 121.399 0.618 . . . . 0.0 111.011 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -65.38 -32.58 74.29 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.95 -178.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' ASN . . . . . 0.427 ' OD1' ' O ' ' A' ' 154' ' ' ASN . 23.9 m120 -77.46 -19.41 56.01 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.859 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 81.83 37.84 15.32 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.497 -1.041 . . . . 0.0 110.497 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -127.8 128.35 45.12 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 120.847 0.355 . . . . 0.0 110.892 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . 0.52 ' O ' HG23 ' A' ' 161' ' ' THR . 5.6 t -68.83 116.95 46.35 Favored Pre-proline 0 CA--C 1.539 0.534 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.903 -179.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' PRO . . . . . 0.568 ' O ' ' CZ ' ' A' ' 110' ' ' PHE . 54.4 Cg_exo -48.6 138.26 25.2 Favored 'Trans proline' 0 N--CA 1.496 1.668 0 C-N-CA 122.227 1.951 . . . . 0.0 112.24 -179.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 . . . . . 0 N--CA 1.464 0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.246 179.967 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.106 0 N-CA-C 110.462 -1.055 . . . . 0.0 110.462 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 30.6 p -93.66 132.12 30.71 Favored Pre-proline 0 CA--C 1.538 0.489 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.672 -179.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -73.45 -159.67 0.09 OUTLIER 'Trans proline' 0 N--CA 1.496 1.638 0 C-N-CA 122.436 2.091 . . . . 0.0 111.879 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 157' ' ' GLU . . . . . 0.412 ' CG ' ' O ' ' B' ' 157' ' ' GLU . 5.7 pt-20 -97.15 104.41 16.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.037 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.93 140.68 52.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.993 0.425 . . . . 0.0 110.652 -179.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.82 142.61 36.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.946 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 160' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -65.37 -34.91 79.43 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.76 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 161' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -65.14 -54.93 22.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.863 0.363 . . . . 0.0 110.998 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 162' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -62.25 -39.58 93.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.994 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 49.3 tp -57.56 -47.79 81.12 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.417 -178.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -65.61 -32.38 73.92 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.419 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 165' ' ' ALA . . . . . . . . . . . . . . . -58.9 -49.38 78.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.668 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 166' ' ' GLU . . . . . 0.529 ' OE1' ' ND2' ' A' ' 154' ' ' ASN . 0.8 OUTLIER -63.19 -44.92 94.05 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.62 -179.166 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.33 -55.9 26.22 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.853 -178.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 168' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.79 -43.96 63.25 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.678 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -64.29 -52.44 58.54 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.258 0.551 . . . . 0.0 110.286 179.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 3.4 tt -54.67 -44.47 73.33 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.474 -0.49 . . . . 0.0 110.121 -179.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -56.3 -45.38 88.66 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.667 -0.973 . . . . 0.0 110.667 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 172' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -56.86 -43.89 81.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.297 0.57 . . . . 0.0 109.555 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -58.44 -55.76 30.85 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.2 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 94.1 mt -59.15 -39.04 81.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.097 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 175' ' ' LEU . . . . . 0.647 ' C ' HD23 ' B' ' 175' ' ' LEU . 7.7 tt -51.33 -41.37 60.52 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.656 -0.418 . . . . 0.0 109.885 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.037 -0.528 . . . . 0.0 109.998 179.311 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 182' ' ' TYR . . . . . 0.54 ' CD1' ' OD1' ' A' ' 113' ' ' ASN . 0.1 OUTLIER . . . . . 0 CA--C 1.536 0.405 0 CA-C-O 121.434 0.635 . . . . 0.0 110.304 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 183' ' ' LEU . . . . . 0.504 ' N ' ' CG ' ' B' ' 182' ' ' TYR . 1.1 pp -67.23 -35.78 80.28 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.324 -179.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 184' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -66.72 -36.51 82.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.786 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -67.06 -43.64 82.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.515 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 186' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.525 -179.954 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 30.7 mt . . . . . 0 N--CA 1.467 0.412 0 CA-C-O 121.159 0.504 . . . . 0.0 110.679 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.34 153.76 13.04 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.423 -179.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -68.71 148.89 72.65 Favored 'Trans proline' 0 N--CA 1.494 1.551 0 C-N-CA 122.734 2.289 . . . . 0.0 111.938 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 52.4 mt -85.03 145.31 43.07 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.904 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -68.1 166.48 24.81 Favored 'Trans proline' 0 N--CA 1.494 1.543 0 C-N-CA 122.593 2.196 . . . . 0.0 112.281 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -40.69 144.89 0.42 Allowed 'Trans proline' 0 C--N 1.311 -1.426 0 C-N-CA 122.621 2.214 . . . . 0.0 111.62 179.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 tt -106.35 104.68 51.4 Favored Pre-proline 0 CA--C 1.54 0.574 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.731 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -50.79 153.52 8.18 Favored 'Trans proline' 0 N--CA 1.497 1.68 0 C-N-CA 122.467 2.111 . . . . 0.0 112.462 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.31 -23.61 67.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.613 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -56.17 -25.46 46.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.658 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -113.75 26.95 9.92 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.402 0.62 . . . . 0.0 110.781 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -66.01 -23.78 66.63 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.713 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.9 p -73.77 -52.93 11.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.153 0.501 . . . . 0.0 111.34 -179.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -72.21 -12.5 15.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.414 -179.449 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -50.29 -37.15 34.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.875 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.7 m170 -59.62 -40.68 88.38 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -64.11 -42.52 96.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.565 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.71 -40.17 96.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.967 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.23 -48.41 81.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.228 0.537 . . . . 0.0 110.422 -178.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 28.3 m -63.03 -43.17 99.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.318 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.69 -49.41 77.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.877 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -54.87 -46.1 74.67 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.737 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.0 tp10 -68.09 -52.03 39.76 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.673 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.494 ' O ' ' N ' ' A' ' 31' ' ' ASP . 0.3 OUTLIER -61.05 -26.48 67.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.573 -179.601 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -49.97 -38.45 36.93 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.125 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -77.49 -34.09 54.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.826 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.8 mmp_? -86.75 -65.44 1.01 Allowed 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.085 -178.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.494 ' N ' ' O ' ' A' ' 27' ' ' HIS . 38.3 m-20 -124.13 107.95 30.15 Favored Pre-proline 0 CA--C 1.54 0.585 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.862 -179.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.39 -22.55 21.51 Favored 'Trans proline' 0 N--CA 1.492 1.411 0 C-N-CA 121.979 1.786 . . . . 0.0 111.879 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 79.7 t -62.33 -51.78 68.15 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.03 -178.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.464 HG13 ' N ' ' A' ' 35' ' ' ALA . 8.1 p -71.93 -39.75 67.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.389 179.526 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.464 ' N ' HG13 ' A' ' 34' ' ' VAL . . . -61.1 -42.53 98.7 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.385 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -61.78 -48.69 79.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.778 0.323 . . . . 0.0 110.513 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -63.89 -39.76 94.93 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.567 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 93.6 m -60.85 -44.22 97.28 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.847 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.537 HH22 ' CB ' ' A' ' 70' ' ' LEU . 44.2 mtm180 -60.38 -43.81 96.23 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.005 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 tt -58.6 -43.53 89.58 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.472 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.418 ' O ' ' OG1' ' A' ' 45' ' ' THR . 7.0 t80 -54.89 -45.88 74.72 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 121.333 0.587 . . . . 0.0 109.938 179.357 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.13 -49.38 77.47 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.632 -179.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 32.3 ttp -50.67 -58.15 6.56 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 120.852 0.358 . . . . 0.0 110.957 -178.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -60.16 -35.86 76.27 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.699 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 41' ' ' TYR . 18.4 m -71.3 -41.53 69.83 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.933 0.397 . . . . 0.0 110.616 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -62.05 -46.72 93.45 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.854 -0.498 . . . . 0.0 111.854 -178.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.453 ' O ' ' O ' ' A' ' 50' ' ' ASP . 10.6 ptt? -65.6 -35.92 82.23 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -66.7 -41.59 87.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.853 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 70.6 mt -62.33 -44.89 99.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.994 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.453 ' O ' ' O ' ' A' ' 47' ' ' MET . 7.9 m-20 -110.06 -168.1 1.28 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.973 0.416 . . . . 0.0 110.275 -179.446 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.1 t -151.23 4.52 0.45 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.051 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.55 ' O ' ' O ' ' A' ' 53' ' ' THR . 10.6 mttm 179.73 -97.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.797 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.55 ' O ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER 52.28 142.47 0.03 OUTLIER Pre-proline 0 CA--C 1.543 0.706 0 O-C-N 123.939 0.774 . . . . 0.0 110.704 -178.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -70.49 -51.21 0.34 Allowed 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 121.944 1.763 . . . . 0.0 111.78 179.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -65.08 -31.94 73.41 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.517 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.446 ' SG ' HD13 ' A' ' 60' ' ' LEU . 30.7 t -72.29 -67.21 0.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.05 -179.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 58' ' ' LYS . 20.2 ptp180 -41.11 -42.17 1.93 Allowed 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.726 -179.221 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.424 ' N ' ' HG3' ' A' ' 57' ' ' ARG . 0.3 OUTLIER -64.97 -43.26 93.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.056 0.455 . . . . 0.0 110.655 -179.765 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -61.64 -44.56 96.76 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.285 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.446 HD13 ' SG ' ' A' ' 56' ' ' CYS . 10.9 mp -62.14 -42.53 99.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.68 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 34.5 t -55.56 -48.14 75.25 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.716 -0.393 . . . . 0.0 110.366 -179.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.3 mmtt -66.78 -41.43 87.67 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 36.2 tp -61.2 -41.94 97.71 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.157 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 19.9 ttm -66.0 -39.79 90.6 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.423 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -58.18 -44.46 88.03 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.059 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.492 ' C ' HH12 ' A' ' 39' ' ' ARG . 72.6 mt-30 -62.45 -44.0 97.47 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.432 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.0 mt -57.54 -46.76 83.5 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.8 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -66.48 -43.18 86.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.168 0.508 . . . . 0.0 110.501 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.46 -38.78 92.44 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.101 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.537 ' CB ' HH22 ' A' ' 39' ' ' ARG . 0.2 OUTLIER -61.67 -43.27 99.17 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.073 -178.586 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.487 ' NZ ' ' O ' ' A' ' 75' ' ' GLY . 26.9 tptp -63.43 -37.88 88.99 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.855 179.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.7 tptt -59.7 -44.61 93.59 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.479 -178.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -63.16 -47.77 81.28 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.731 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.2 mt -69.66 -30.44 68.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.443 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.487 ' O ' ' NZ ' ' A' ' 71' ' ' LYS . . . 74.93 -84.86 0.79 Allowed Glycine 0 C--O 1.229 -0.185 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -145.5 80.64 1.6 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 61.1 t-20 -90.01 126.8 35.89 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.403 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -46.85 -37.99 9.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.286 -179.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.403 ' HA ' HG13 ' A' ' 85' ' ' VAL . . . -62.2 -36.73 82.83 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.45 -178.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 12.3 mm -94.14 -43.77 13.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.034 -179.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 36.3 p -62.59 -54.0 46.26 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.122 -178.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -100.44 106.93 18.55 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.266 0.555 . . . . 0.0 110.949 -178.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.92 -26.03 33.33 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.037 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 42.6 mm -49.53 -55.76 4.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.571 -177.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.454 ' H ' HG12 ' A' ' 85' ' ' VAL . 1.8 p -73.13 -35.92 48.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.484 178.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.39 -46.8 93.31 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 -179.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.5 t -63.73 -50.97 67.03 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 179.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.81 -36.91 75.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.434 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 69.4 t60 -58.84 -45.5 89.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.352 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -63.74 -44.41 93.59 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.099 -179.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.529 ' N ' ' OE1' ' A' ' 91' ' ' GLU . 0.4 OUTLIER -62.38 -42.56 99.51 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.58 -178.7 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -61.42 -42.65 99.08 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.276 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -61.66 -47.67 84.31 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.133 0.492 . . . . 0.0 110.689 -179.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.28 -48.79 80.22 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.907 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.1 tp -60.87 -42.53 98.08 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.696 -179.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 45.7 tptt -60.15 -49.25 78.36 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.627 0.727 . . . . 0.0 111.66 -178.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.441 ' SD ' ' CD1' ' A' ' 124' ' ' LEU . 5.6 ptm -77.11 -35.31 56.46 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.305 -178.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -63.62 -53.35 52.92 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 120.477 -0.489 . . . . 0.0 109.891 -178.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.74 -40.44 88.08 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.77 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -51.32 -46.95 62.75 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 119.782 -0.767 . . . . 0.0 110.354 179.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.31 -44.9 78.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.399 0.618 . . . . 0.0 111.009 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -61.9 -37.55 85.05 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.324 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 22.6 t30 -63.14 -43.73 97.54 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.472 179.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -70.53 -31.09 68.02 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.381 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -60.78 -51.82 67.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.267 -179.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 106' ' ' ARG . 2.3 ptt-85 -68.78 -35.94 77.67 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.114 0.483 . . . . 0.0 110.45 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.33 -10.67 17.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.127 -178.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 82.59 22.84 57.63 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.509 ' O ' ' SD ' ' A' ' 114' ' ' MET . 2.0 mmt85 -97.82 101.2 12.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.726 0.298 . . . . 0.0 110.612 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -101.62 133.79 45.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.874 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -168.36 151.93 5.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.292 179.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 57.7 pttt -50.94 -21.08 1.56 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.387 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -64.22 -39.44 93.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.494 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.509 ' SD ' ' O ' ' A' ' 109' ' ' ARG . 3.0 mtm -61.77 -40.98 97.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.687 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.37 -49.13 85.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.06 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 9.3 tttm -65.52 -29.5 70.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.648 -179.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.41 ' OG ' ' N ' ' A' ' 118' ' ' PHE . 10.6 p -61.71 -52.18 65.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.773 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.41 ' N ' ' OG ' ' A' ' 117' ' ' SER . 61.3 m-85 -64.26 -38.62 91.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.597 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -57.69 -55.85 29.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.058 0.456 . . . . 0.0 110.499 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 11.9 m -58.25 -40.88 82.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.963 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -57.37 -40.85 78.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.233 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 49.7 p -61.37 -42.31 98.49 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-O 121.667 0.746 . . . . 0.0 110.719 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 95.5 mt -62.36 -42.51 99.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.447 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.441 ' CD1' ' SD ' ' A' ' 97' ' ' MET . 15.0 mt -61.11 -38.54 86.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.423 0.63 . . . . 0.0 110.462 -179.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 89.8 mt -59.01 -42.58 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.417 ' O ' ' OG1' ' A' ' 129' ' ' THR . 37.0 t0 -57.97 -41.81 83.74 Favored 'General case' 0 C--O 1.249 1.045 0 CA-C-O 122.109 0.956 . . . . 0.0 110.506 179.127 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.685 ' O ' HG22 ' A' ' 130' ' ' VAL . 14.0 t -57.98 -34.3 48.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.671 179.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 89.9 mt -70.34 -43.79 78.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.907 178.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.575 HG22 HD11 ' A' ' 134' ' ' LEU . 67.4 p -51.33 -39.78 57.68 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.806 -176.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.685 HG22 ' O ' ' A' ' 127' ' ' VAL . 3.5 m -40.73 -28.18 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 C-N-CA 120.036 -0.666 . . . . 0.0 111.104 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.423 ' N ' ' O ' ' A' ' 129' ' ' THR . 35.3 m-85 -71.35 -44.3 65.3 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.837 179.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 129' ' ' THR . . . 104.35 34.45 3.63 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -121.42 59.52 0.96 Allowed 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 120.922 0.391 . . . . 0.0 110.702 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.575 HD11 HG22 ' A' ' 129' ' ' THR . 3.9 mm? -81.78 88.8 6.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.391 -178.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.72 ' N ' HD22 ' A' ' 138' ' ' ASN . 7.6 p -83.49 146.16 28.53 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.051 179.042 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -42.05 -41.8 2.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.671 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -54.22 -56.66 16.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.642 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.72 HD22 ' N ' ' A' ' 135' ' ' THR . 1.2 p30 -54.19 -45.05 72.08 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.081 0.467 . . . . 0.0 110.324 -179.275 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . 0.425 ' N ' ' CG ' ' A' ' 138' ' ' ASN . 61.7 t -61.73 -45.98 97.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.832 -178.039 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 4.7 ttmm -60.66 -45.38 94.35 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.454 0.645 . . . . 0.0 110.564 -178.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 34.6 m170 -64.33 -42.09 96.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.132 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -57.75 -42.69 84.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.392 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -62.32 -39.49 93.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -70.39 -42.76 71.28 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.516 -0.474 . . . . 0.0 111.578 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -55.9 -46.77 78.29 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.853 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . 0.435 ' O ' HG23 ' A' ' 150' ' ' THR . 60.1 mtp85 -65.59 -45.23 84.03 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.974 -0.29 . . . . 0.0 111.633 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 18.1 t90 -61.39 -49.23 77.75 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.938 0.399 . . . . 0.0 111.085 -178.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -61.5 -39.91 92.66 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.807 -178.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -60.23 -48.12 83.07 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . 0.435 HG23 ' O ' ' A' ' 146' ' ' ARG . 37.3 p -73.8 -43.07 59.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.175 -179.025 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -52.4 -53.18 48.44 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.78 0.324 . . . . 0.0 110.838 -178.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 84.1 mt -65.58 -42.68 93.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.903 0.382 . . . . 0.0 110.521 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' HIS . . . . . 0.408 ' NE2' ' CE ' ' A' ' 157' ' ' LYS . 73.3 t60 -50.84 -52.57 40.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.051 -178.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -64.6 -37.25 86.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.455 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.14 -40.23 80.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.109 0.481 . . . . 0.0 110.833 -179.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.689 ' O ' HD12 ' A' ' 156' ' ' LEU . 0.1 OUTLIER -71.15 -42.09 69.6 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.279 0.561 . . . . 0.0 110.687 -179.564 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.511 ' N ' ' HG ' ' A' ' 156' ' ' LEU . 46.4 mttm -62.23 -34.34 76.31 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.628 -177.021 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -86.38 -14.44 43.42 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.77 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 83.57 14.17 74.11 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 110.655 -0.978 . . . . 0.0 110.655 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -82.18 142.75 31.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.717 0.294 . . . . 0.0 110.574 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 54.2 m -81.51 127.79 71.97 Favored Pre-proline 0 CA--C 1.539 0.548 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.547 -179.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -73.07 157.72 50.45 Favored 'Trans proline' 0 N--CA 1.497 1.717 0 C-N-CA 122.394 2.063 . . . . 0.0 112.068 179.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 . . . . . 0 C--N 1.332 -0.181 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.223 179.509 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.37 0 N-CA-C 110.556 -1.017 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 3.1 p -106.82 130.22 23.22 Favored Pre-proline 0 CA--C 1.54 0.59 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.018 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -73.86 -155.36 0.04 OUTLIER 'Trans proline' 0 N--CA 1.497 1.689 0 C-N-CA 122.461 2.107 . . . . 0.0 111.644 179.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 157' ' ' GLU . . . . . 0.487 ' C ' HD22 ' B' ' 158' ' ' LEU . 3.6 pt-20 -91.39 101.85 14.53 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.98 0.419 . . . . 0.0 110.09 179.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 158' ' ' LEU . . . . . 0.691 HD22 ' N ' ' B' ' 158' ' ' LEU . 3.2 mm? -96.14 127.01 41.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.217 0.532 . . . . 0.0 110.483 -179.334 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -77.13 114.47 15.97 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.937 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 160' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -44.08 -41.02 5.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.832 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 161' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -63.99 -50.01 70.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.984 0.421 . . . . 0.0 110.497 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 162' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -63.75 -49.18 74.03 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.462 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.13 -46.05 22.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.177 0.513 . . . . 0.0 110.532 -179.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.6 -36.99 83.95 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 165' ' ' ALA . . . . . . . . . . . . . . . -59.11 -45.76 90.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.715 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.74 -42.28 74.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.927 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.7 -56.14 25.59 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.389 -178.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 168' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -53.06 -48.8 67.39 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.221 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -60.6 -48.42 81.87 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.059 0.457 . . . . 0.0 110.269 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 7.6 tt -57.37 -43.36 83.49 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.356 -178.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -58.66 -43.44 96.27 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 172' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -58.58 -40.59 83.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.825 0.345 . . . . 0.0 110.45 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -61.46 -52.8 63.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.945 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 174' ' ' LEU . . . . . 0.411 HD12 ' N ' ' B' ' 174' ' ' LEU . 10.9 mp -63.58 -37.99 89.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.02 0.438 . . . . 0.0 110.493 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 175' ' ' LEU . . . . . 0.607 HD13 ' O ' ' B' ' 175' ' ' LEU . 0.2 OUTLIER -66.48 -42.29 87.71 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 120.265 -0.574 . . . . 0.0 110.554 -179.529 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.707 0 C-N-CA 120.559 -0.457 . . . . 0.0 111.152 -179.78 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 182' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.26 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 183' ' ' LEU . . . . . . . . . . . . . 8.5 tp -56.82 -51.31 69.47 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.713 -176.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 184' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -68.64 -30.95 69.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.726 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -60.24 -58.15 9.75 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.646 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 186' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.325 -179.921 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.0 mtm . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -156.82 159.77 38.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.557 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -98.08 122.54 41.34 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.418 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 27.3 mt -84.02 155.4 22.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.842 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.54 151.84 76.36 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.728 -179.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -68.91 154.75 70.37 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.661 2.241 . . . . 0.0 111.938 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.09 151.11 69.66 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.063 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -60.34 166.64 9.03 Favored 'Trans proline' 0 N--CA 1.495 1.594 0 C-N-CA 122.49 2.127 . . . . 0.0 112.115 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -38.08 131.81 0.88 Allowed 'Trans proline' 0 C--N 1.311 -1.437 0 C-N-CA 122.654 2.236 . . . . 0.0 111.312 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.8 tp -97.23 112.12 60.01 Favored Pre-proline 0 CA--C 1.541 0.632 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.975 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_exo -54.71 163.57 3.83 Favored 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 122.581 2.187 . . . . 0.0 112.14 177.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.89 -23.88 65.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.043 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -60.12 -11.36 5.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.752 -179.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -122.46 28.33 7.44 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 121.195 0.522 . . . . 0.0 110.65 -179.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.2 pttt -63.09 -31.1 72.16 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.65 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.7 m -63.93 -44.79 91.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.775 0.321 . . . . 0.0 111.657 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.6 pt -87.18 -9.9 11.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.964 -179.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -49.82 -48.72 50.66 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.954 -179.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -65.11 -40.59 94.75 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.036 0.446 . . . . 0.0 110.852 -178.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -57.58 -42.49 83.24 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.327 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 59.0 mt -63.08 -44.53 95.5 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.532 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -62.34 -38.53 89.84 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.27 0.557 . . . . 0.0 110.586 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 90.0 m -60.91 -42.2 97.59 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.928 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.21 -39.64 94.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.509 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -55.15 -42.4 73.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.953 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -72.81 -48.97 33.42 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.427 0.632 . . . . 0.0 110.704 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.434 ' O ' ' O ' ' A' ' 31' ' ' ASP . 15.8 m80 -64.03 -25.3 68.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.187 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -53.34 -45.44 69.11 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.341 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -75.94 -48.61 20.54 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.85 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -63.08 -50.77 69.25 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.967 0.413 . . . . 0.0 110.783 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.434 ' O ' ' O ' ' A' ' 27' ' ' HIS . 5.6 m-20 -153.99 116.24 2.6 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.895 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -70.24 -19.89 33.26 Favored 'Trans proline' 0 C--N 1.313 -1.297 0 C-N-CA 122.141 1.894 . . . . 0.0 112.345 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 83.0 t -61.34 -50.84 78.79 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.927 -179.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 57.8 t -68.37 -43.12 84.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.012 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.88 -39.33 88.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.69 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.551 ' CD2' ' CD1' ' A' ' 80' ' ' ILE . 77.9 t80 -60.44 -53.95 51.47 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.232 0.539 . . . . 0.0 110.705 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -62.71 -34.37 77.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.095 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.5 m -60.27 -44.96 94.87 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.151 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -60.27 -38.76 84.57 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.7 tp -57.7 -44.79 86.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.981 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.54 ' CE1' ' OD1' ' A' ' 126' ' ' ASP . 65.0 t80 -57.68 -46.65 84.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.119 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.34 -52.7 63.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.809 -179.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.8 ttp -57.51 -46.52 83.69 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.671 -179.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -63.47 -41.77 98.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.349 0.595 . . . . 0.0 110.718 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.0 m -72.08 -34.96 69.08 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.497 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -60.75 -49.13 81.96 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 111.769 -0.532 . . . . 0.0 111.769 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.59 ' SD ' ' N ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -68.99 -34.8 75.88 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-O 121.012 0.434 . . . . 0.0 110.022 179.681 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.59 ' N ' ' SD ' ' A' ' 47' ' ' MET . 88.7 tttt -62.35 -43.46 98.76 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.481 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 93.3 mt -67.33 -46.59 83.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.731 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.563 ' O ' ' O ' ' A' ' 47' ' ' MET . 4.8 p-10 -142.97 -148.75 0.24 Allowed 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.571 -178.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 50' ' ' ASP . 1.7 m 157.44 14.31 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.612 ' O ' ' O ' ' A' ' 53' ' ' THR . 60.4 tttt -125.85 -139.73 0.28 Allowed 'General case' 0 CA--C 1.515 -0.375 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.612 ' O ' ' O ' ' A' ' 52' ' ' LYS . 0.6 OUTLIER 38.61 113.43 0.0 OUTLIER Pre-proline 0 CA--C 1.541 0.613 0 O-C-N 124.415 1.072 . . . . 0.0 111.071 -179.722 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -40.52 -27.55 0.28 Allowed 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 121.588 1.525 . . . . 0.0 112.251 -179.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 53' ' ' THR . 44.4 mt-10 -67.43 -45.25 76.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.911 0.386 . . . . 0.0 110.19 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.56 ' SG ' ' OD2' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -71.45 -53.58 13.5 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.257 179.748 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -47.46 -46.84 27.19 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.359 -178.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm -66.58 -42.03 87.65 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.94 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -58.99 -46.47 88.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.756 -179.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.87 -41.45 99.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.269 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 52.9 p -58.94 -44.28 91.35 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.363 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -65.19 -44.48 88.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.45 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 35.7 tp -61.81 -43.04 99.65 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.868 -178.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.7 ttt -61.59 -41.81 97.97 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.391 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -60.29 -41.31 93.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.654 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -63.52 -40.56 97.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.414 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.9 mt -62.13 -44.34 96.85 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.23 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -62.9 -46.48 87.6 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.68 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.67 -41.41 99.07 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.424 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.569 HD13 ' O ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -61.31 -46.63 89.51 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.414 -0.515 . . . . 0.0 110.581 -178.757 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -58.3 -42.53 86.84 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.143 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? -63.71 -42.18 97.99 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.953 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -54.2 -50.03 68.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.686 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 70.0 mt -67.3 -29.48 69.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.605 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.66 -85.76 1.42 Allowed Glycine 0 N--CA 1.452 -0.256 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.5 ' O ' ' O ' ' A' ' 77' ' ' ASN . 0.0 OUTLIER -115.7 -64.95 1.24 Allowed 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.813 0.34 . . . . 0.0 110.401 -178.775 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.5 ' O ' ' O ' ' A' ' 76' ' ' ASP . 44.4 t-20 50.58 113.63 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.451 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -51.25 -30.92 19.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.908 0.385 . . . . 0.0 110.295 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.04 -32.19 71.52 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.131 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.551 ' CD1' ' CD2' ' A' ' 36' ' ' TYR . 7.7 mm -93.26 -49.22 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.013 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.499 HG23 ' O ' ' A' ' 76' ' ' ASP . 1.0 OUTLIER -63.41 -52.87 59.77 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.325 -179.784 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -99.0 98.07 9.15 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.231 0.539 . . . . 0.0 110.313 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.662 ' CD ' ' H ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -59.91 -21.07 60.62 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.804 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 84.6 mt -58.53 -51.75 67.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.129 -179.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.0 m -74.29 -36.21 42.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.899 0.38 . . . . 0.0 110.497 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -61.34 -45.17 97.0 Favored Glycine 0 CA--C 1.52 0.357 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 3.0 t -64.75 -49.88 69.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.876 0.369 . . . . 0.0 110.418 179.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.09 -39.36 72.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.409 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -63.77 -43.67 95.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.742 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.2 mt -60.95 -41.74 96.91 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.379 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -61.24 -43.86 98.19 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.459 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -64.08 -41.27 97.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.766 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -60.01 -47.89 83.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.383 -179.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.37 -41.12 98.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.427 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 8.3 mt -61.79 -46.24 90.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.32 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -60.09 -43.88 95.21 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.601 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 24.3 tpp -63.94 -46.72 83.46 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.396 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.547 ' CE2' ' OD2' ' A' ' 102' ' ' ASP . 37.1 t80 -62.29 -52.72 62.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.303 -179.112 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.61 -40.85 72.64 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.109 -178.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -56.55 -47.4 79.55 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.005 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.654 ' HB1' ' CE2' ' A' ' 118' ' ' PHE . . . -65.45 -40.24 93.01 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 121.178 0.513 . . . . 0.0 110.392 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.547 ' OD2' ' CE2' ' A' ' 98' ' ' PHE . 85.8 m-20 -64.59 -38.51 91.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.341 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -60.37 -47.49 85.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.033 0.444 . . . . 0.0 110.185 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -72.26 -26.47 62.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.66 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -60.87 -52.25 65.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 48.8 ptt85 -72.91 -28.5 62.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.801 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.86 -14.09 50.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.368 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 81.23 32.71 30.85 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.553 ' O ' ' SD ' ' A' ' 114' ' ' MET . 28.6 ttm180 -125.18 106.01 9.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.628 0.252 . . . . 0.0 110.562 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.486 ' O ' ' CG ' ' A' ' 111' ' ' HIS . 24.3 m-85 -111.87 142.26 44.47 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.168 -179.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.486 ' CG ' ' O ' ' A' ' 110' ' ' PHE . 51.3 m-70 -163.29 171.0 16.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.266 0.555 . . . . 0.0 110.407 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.656 ' HA ' HD12 ' A' ' 115' ' ' ILE . 0.5 OUTLIER -63.0 -34.17 76.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.616 179.824 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.461 ' OD1' ' N ' ' A' ' 114' ' ' MET . 5.0 p30 -57.8 -45.52 85.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.187 0.518 . . . . 0.0 110.395 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.553 ' SD ' ' O ' ' A' ' 109' ' ' ARG . 72.9 mtp -64.55 -38.07 89.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.697 179.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.656 HD12 ' HA ' ' A' ' 112' ' ' LYS . 96.5 mt -57.06 -42.19 78.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 -179.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.538 ' NZ ' ' OG ' ' B' ' 180' ' ' SER . 38.5 ttmt -65.18 -37.73 88.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.29 178.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 42.2 m -58.83 -47.31 85.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.959 -178.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.654 ' CE2' ' HB1' ' A' ' 101' ' ' ALA . 37.5 m-85 -63.09 -50.12 71.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 110.701 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -62.01 -49.35 76.39 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.378 0.608 . . . . 0.0 110.493 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 95.3 m -57.76 -41.68 82.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.762 -179.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -57.65 -37.45 73.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.223 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 36.3 p -62.0 -41.24 97.84 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.131 0.491 . . . . 0.0 110.398 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 54.3 mt -61.53 -39.26 90.4 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.072 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -62.68 -41.93 99.36 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.599 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.509 ' HA ' HD12 ' A' ' 128' ' ' ILE . 96.8 mt -58.57 -41.96 83.41 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.084 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.54 ' OD1' ' CE1' ' A' ' 41' ' ' TYR . 18.7 t0 -58.87 -42.87 90.5 Favored 'General case' 0 C--O 1.254 1.341 0 CA-C-O 122.018 0.913 . . . . 0.0 110.26 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.798 ' O ' HG22 ' A' ' 130' ' ' VAL . 97.6 t -61.68 -25.94 38.3 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.653 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.294 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.509 HD12 ' HA ' ' A' ' 125' ' ' ILE . 96.7 mt -76.11 -40.7 37.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.462 0.649 . . . . 0.0 110.233 178.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.512 HG22 ' HG ' ' A' ' 134' ' ' LEU . 18.0 p -58.01 -40.76 81.59 Favored 'General case' 0 CA--C 1.511 -0.534 0 O-C-N 121.789 -0.569 . . . . 0.0 111.378 -177.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.798 HG22 ' O ' ' A' ' 127' ' ' VAL . 11.9 m -44.26 -29.0 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.839 -179.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -63.07 -29.4 70.78 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 120.885 0.374 . . . . 0.0 110.3 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 111.97 -15.16 26.13 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.459 ' O ' ' CB ' ' A' ' 134' ' ' LEU . 84.7 mt-10 -77.85 -127.5 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.814 0.34 . . . . 0.0 110.314 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.512 ' HG ' HG22 ' A' ' 129' ' ' THR . 0.4 OUTLIER 81.64 101.89 0.06 Allowed 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.553 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 11.7 p -94.87 168.04 11.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.832 179.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -54.63 -37.1 65.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.255 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -52.74 -50.98 62.35 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.095 0.474 . . . . 0.0 110.748 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -62.46 -38.04 88.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.192 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 94.1 t -59.98 -44.39 94.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.007 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -58.31 -41.81 85.32 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 6.3 m170 -64.09 -43.16 96.23 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.888 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -57.57 -43.92 84.89 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.146 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 10.6 ttmm -62.87 -37.38 86.64 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.471 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -71.14 -42.73 68.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.603 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -61.45 -45.31 94.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.722 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 54.4 mtt-85 -64.31 -43.65 94.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.961 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 31.2 t90 -65.23 -46.81 79.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.579 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 9.4 ttmm -64.04 -34.4 77.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.824 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -63.13 -50.38 70.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.588 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 56.7 p -75.25 -41.24 57.86 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.183 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -51.81 -50.53 60.61 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.232 -178.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 84.1 mt -67.41 -44.01 87.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.727 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 46.8 t60 -63.71 -45.15 91.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.764 -178.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' ASN . . . . . 0.441 ' ND2' ' OE1' ' B' ' 166' ' ' GLU . 20.3 t-20 -62.87 -42.88 99.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.475 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 84.4 m -65.74 -33.86 76.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.21 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.517 ' O ' HD12 ' A' ' 156' ' ' LEU . 0.9 OUTLIER -60.92 -46.12 91.93 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 121.084 0.469 . . . . 0.0 110.096 179.609 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 31.7 mttm -64.36 -36.36 83.88 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.689 -178.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 73.0 m-80 -69.6 -18.87 63.65 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.668 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 83.96 46.26 6.01 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -129.04 141.83 51.1 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.958 0.408 . . . . 0.0 110.572 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . 0.555 ' O ' HG23 ' A' ' 161' ' ' THR . 11.3 t -78.61 123.34 85.52 Favored Pre-proline 0 CA--C 1.541 0.601 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.751 -179.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_exo -46.62 166.6 0.07 OUTLIER 'Trans proline' 0 N--CA 1.495 1.575 0 C-N-CA 122.52 2.147 . . . . 0.0 112.358 179.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.202 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.34 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 -0.049 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -131.24 150.71 77.26 Favored Pre-proline 0 CA--C 1.536 0.411 0 C-N-CA 121.197 -0.201 . . . . 0.0 110.626 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -77.78 163.01 29.32 Favored 'Trans proline' 0 C--N 1.314 -1.275 0 C-N-CA 122.84 2.36 . . . . 0.0 111.956 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 157' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -61.4 126.41 27.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.125 0.488 . . . . 0.0 109.783 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 24.7 mt -109.52 138.62 45.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.506 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -84.16 114.17 21.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.05 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 160' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -57.71 -34.57 69.59 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.19 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 161' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -67.0 -62.69 1.31 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.316 0.579 . . . . 0.0 111.492 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 162' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' B' ' 162' ' ' ASP . 0.7 OUTLIER -62.21 -38.65 89.97 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.796 -179.47 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 15.9 tp -56.87 -43.31 81.09 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 123.427 0.454 . . . . 0.0 110.434 -178.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.06 -34.63 78.08 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.409 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 165' ' ' ALA . . . . . . . . . . . . . . . -61.1 -47.58 85.65 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.204 0.526 . . . . 0.0 111.288 -179.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 166' ' ' GLU . . . . . 0.441 ' OE1' ' ND2' ' A' ' 154' ' ' ASN . 0.0 OUTLIER -68.83 -39.2 80.12 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.115 -179.399 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . 0.444 HD13 ' O ' ' B' ' 167' ' ' LEU . 0.2 OUTLIER -60.97 -53.76 53.3 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.117 -0.633 . . . . 0.0 110.14 -178.478 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 168' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -53.7 -44.65 69.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.075 -178.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -58.2 -47.78 82.41 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.781 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 10.4 tp -57.68 -46.29 84.48 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.384 -178.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -54.37 -42.81 75.52 Favored Glycine 0 CA--C 1.525 0.67 0 C-N-CA 120.461 -0.876 . . . . 0.0 111.102 -179.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 172' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.0 -47.13 86.18 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.071 0.462 . . . . 0.0 111.226 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -59.94 -51.68 68.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.58 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . 0.406 ' N ' HD12 ' B' ' 174' ' ' LEU . 9.0 mp -63.4 -34.27 77.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.274 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 4.9 tt -61.7 -32.1 72.28 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.699 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -59.46 -29.83 68.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.965 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 177' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -104.38 91.19 3.8 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.789 0.328 . . . . 0.0 110.751 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 178' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.18 -37.27 72.16 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.766 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 179' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -107.4 109.67 21.46 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.258 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 180' ' ' SER . . . . . 0.538 ' OG ' ' NZ ' ' A' ' 116' ' ' LYS . 4.0 m -129.35 120.98 26.51 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 64.8 m -57.59 -35.54 70.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.783 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 182' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -57.19 -37.37 72.06 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.505 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 183' ' ' LEU . . . . . 0.626 ' O ' HD23 ' B' ' 183' ' ' LEU . 2.0 tt -60.38 -45.09 94.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.132 0.491 . . . . 0.0 109.962 -179.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 184' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -67.19 -27.11 66.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.832 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -63.89 -54.17 39.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.476 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 186' ' ' ALA . . . . . . . . . . . . . . . -71.69 -36.79 70.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.069 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 187' ' ' ALA . . . . . . . . . . . . . . . -55.26 -65.77 0.53 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.976 -179.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 188' ' ' SER . . . . . . . . . . . . . 16.2 m -73.37 -43.3 60.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.982 0.42 . . . . 0.0 110.646 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 189' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.564 -179.936 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.2 ptm . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.79 138.68 57.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.395 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -107.24 124.72 50.17 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.527 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.519 HD12 ' N ' ' A' ' 4' ' ' LEU . 10.1 mp -78.58 166.14 22.9 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.501 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.39 150.69 32.13 Favored Pre-proline 0 N--CA 1.445 -0.692 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.03 -178.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_exo -59.46 148.45 86.88 Favored 'Trans proline' 0 N--CA 1.501 1.954 0 C-N-CA 122.618 2.212 . . . . 0.0 112.647 178.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 19.4 mt -73.27 154.33 90.26 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.637 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -55.22 166.92 2.03 Favored 'Trans proline' 0 N--CA 1.493 1.494 0 C-N-CA 122.526 2.151 . . . . 0.0 112.283 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -40.54 125.65 2.04 Favored 'Trans proline' 0 C--N 1.312 -1.36 0 C-N-CA 122.445 2.097 . . . . 0.0 111.749 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.8 tt -93.33 113.76 60.97 Favored Pre-proline 0 CA--C 1.543 0.696 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.742 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -76.77 161.5 33.47 Favored 'Trans proline' 0 N--CA 1.494 1.517 0 C-N-CA 122.639 2.226 . . . . 0.0 112.304 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.74 -21.35 62.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.329 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -54.57 -42.06 70.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.525 ' HB3' HD11 ' A' ' 17' ' ' ILE . 57.2 m-85 -101.88 43.01 1.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.677 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -82.75 -28.36 30.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.89 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 83.5 p -70.01 -12.71 61.81 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.624 -179.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.525 HD11 ' HB3' ' A' ' 14' ' ' PHE . 41.2 pt -114.04 -1.56 9.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.446 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -56.35 -41.01 75.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.709 -179.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.5 m80 -58.87 -36.98 75.52 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.581 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -67.9 -45.42 74.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.385 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 63.0 mt -62.2 -41.29 98.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.64 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -68.98 -45.19 71.27 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.944 0.402 . . . . 0.0 111.063 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.8 m -62.66 -43.29 99.19 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.67 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 28' ' ' ASP . . . -63.55 -47.89 79.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.087 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 72.3 mm-40 -53.53 -41.27 66.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 0.0 110.777 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -68.82 -55.57 10.76 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.255 0.55 . . . . 0.0 110.113 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.489 ' O ' ' N ' ' A' ' 31' ' ' ASP . 0.9 OUTLIER -66.59 -18.67 65.49 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.98 -179.18 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 24' ' ' ALA . 41.4 t0 -57.77 -35.87 71.36 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.115 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 52.3 tttm -70.68 -39.36 73.57 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.334 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -83.59 -58.25 2.89 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 27' ' ' HIS . 53.7 m-20 -121.55 101.39 43.36 Favored Pre-proline 0 CA--C 1.543 0.68 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.168 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -72.31 -25.25 18.75 Favored 'Trans proline' 0 N--CA 1.492 1.384 0 C-N-CA 122.182 1.921 . . . . 0.0 111.702 -179.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 62.2 t -64.3 -48.31 85.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.025 0.44 . . . . 0.0 110.656 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 97.3 t -64.71 -44.07 96.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.714 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.56 -36.7 83.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.524 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -58.89 -50.83 72.53 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.071 0.462 . . . . 0.0 110.014 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -68.86 -37.29 79.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.491 179.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 5.6 t -58.57 -48.39 81.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.478 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.46 -41.52 97.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.978 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 tp -57.64 -44.48 85.63 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.178 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -58.31 -43.68 88.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.219 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.15 -51.03 71.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.538 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 44.1 ttp -55.95 -45.85 78.73 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 121.084 0.469 . . . . 0.0 110.305 -178.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -63.27 -47.47 82.25 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.757 0.789 . . . . 0.0 110.917 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.8 m -68.46 -23.02 64.54 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.334 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -67.77 -48.37 55.85 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.482 ' HG3' ' N ' ' A' ' 48' ' ' LYS . 2.2 ptt? -65.17 -35.64 81.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.04 0.448 . . . . 0.0 110.216 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.482 ' N ' ' HG3' ' A' ' 47' ' ' MET . 51.0 mttp -65.31 -43.51 90.82 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.576 -179.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 79.0 mt -69.51 -48.24 67.54 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.137 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.431 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.482 ' OD2' ' SG ' ' A' ' 56' ' ' CYS . 0.3 OUTLIER -67.92 176.84 2.39 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 121.142 0.496 . . . . 0.0 110.04 -178.762 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.3 t -136.0 49.21 2.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.763 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 49.3 tttp 59.31 89.55 0.06 Allowed 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.436 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -143.6 150.86 52.27 Favored Pre-proline 0 CA--C 1.533 0.318 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.529 179.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -45.42 -43.46 17.43 Favored 'Trans proline' 0 C--N 1.313 -1.296 0 C-N-CA 122.254 1.97 . . . . 0.0 112.431 179.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 21.4 mp0 -59.68 -55.86 29.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.604 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.553 ' SG ' HD13 ' A' ' 60' ' ' LEU . 46.6 t -61.76 -33.63 74.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.469 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -58.39 -49.63 76.58 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.775 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.444 ' O ' ' OG ' ' A' ' 61' ' ' SER . 63.0 mttp -69.15 -40.87 77.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.178 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -61.75 -49.82 74.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.332 -178.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.553 HD13 ' SG ' ' A' ' 56' ' ' CYS . 7.4 mp -64.17 -40.38 95.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.358 179.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.444 ' OG ' ' O ' ' A' ' 58' ' ' LYS . 80.6 p -58.97 -44.52 91.54 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.496 -0.482 . . . . 0.0 110.374 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -68.1 -44.34 76.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.993 0.425 . . . . 0.0 110.679 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 33.6 tp -62.6 -41.47 98.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.334 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.44 ' C ' ' SD ' ' A' ' 64' ' ' MET . 14.4 tmm? -62.66 -40.25 96.47 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.666 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -62.12 -40.94 97.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.577 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -63.16 -38.52 91.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.372 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mt -61.26 -43.63 98.56 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.586 -0.445 . . . . 0.0 110.457 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -66.13 -40.53 90.72 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.197 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.96 -43.35 88.2 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.301 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.501 HD13 ' O ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -57.79 -43.8 85.83 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.264 -0.574 . . . . 0.0 109.601 -178.068 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -61.49 -39.82 92.34 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.685 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.1 tptt -65.53 -38.74 90.53 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.857 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -58.66 -47.8 83.23 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.563 -179.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.421 HD13 HD22 ' A' ' 77' ' ' ASN . 54.7 mt -67.1 -30.18 70.14 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.409 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.98 -84.49 0.69 Allowed Glycine 0 CA--C 1.518 0.219 0 N-CA-C 111.63 -0.588 . . . . 0.0 111.63 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -117.65 97.61 5.95 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.907 0.385 . . . . 0.0 111.443 -179.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.421 HD22 HD13 ' A' ' 74' ' ' LEU . 48.1 t-20 -129.26 117.97 21.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.987 -0.552 . . . . 0.0 109.902 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.532 ' H ' ' CD ' ' A' ' 78' ' ' GLU . 40.6 mp0 -62.46 -45.49 92.82 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.651 -178.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.406 ' HA ' HG13 ' A' ' 85' ' ' VAL . . . -56.6 -24.8 50.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.386 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 39.4 mm -98.98 -48.24 12.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.658 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 34.5 p -62.05 -31.64 72.07 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.858 -179.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -125.76 117.33 23.2 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.24 0.543 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -64.56 -24.97 67.78 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.395 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 58.3 mt -53.15 -58.63 2.63 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-O 121.095 0.474 . . . . 0.0 110.707 -179.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.429 ' H ' HG12 ' A' ' 85' ' ' VAL . 1.7 p -73.32 -32.05 36.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.23 179.196 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.593 ' O ' ' ND1' ' A' ' 89' ' ' HIS . . . -61.07 -38.1 94.99 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.344 -1.103 . . . . 0.0 110.344 -179.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 20.8 t -72.66 -49.27 32.8 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.026 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.14 -49.28 64.02 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.629 -179.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.593 ' ND1' ' O ' ' A' ' 86' ' ' GLY . 0.1 OUTLIER -59.88 -45.77 91.45 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.163 0.506 . . . . 0.0 110.019 179.602 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.515 ' N ' ' CG ' ' A' ' 89' ' ' HIS . 0.7 OUTLIER -58.81 -43.38 90.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.25 -178.77 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.47 -44.13 95.35 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.263 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -64.47 -43.22 94.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -62.15 -47.68 83.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.65 -41.77 83.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.0 tp -61.66 -44.05 97.7 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.459 -179.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -64.89 -39.59 93.76 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.769 -179.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 36.0 ttm -64.79 -47.51 77.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.693 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -58.06 -47.54 82.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.511 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.453 ' O ' ' ND2' ' A' ' 103' ' ' ASN . 3.6 mm? -61.36 -40.09 93.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.837 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.421 ' CE2' ' OE2' ' A' ' 104' ' ' GLU . 37.8 t80 -53.65 -49.04 68.79 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 120.326 -0.55 . . . . 0.0 110.048 -179.223 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.412 ' HB1' ' CE2' ' A' ' 118' ' ' PHE . . . -69.54 -41.75 75.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.155 0.502 . . . . 0.0 110.865 179.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -63.84 -36.46 83.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.484 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 99' ' ' LEU . 88.3 m-20 -65.41 -43.58 90.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.561 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.421 ' OE2' ' CE2' ' A' ' 100' ' ' TYR . 39.5 mt-10 -66.79 -38.37 86.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.598 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -60.07 -48.7 80.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.143 0.497 . . . . 0.0 110.769 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -61.58 -41.63 97.69 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.35 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.33 -4.94 2.95 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.368 -179.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 77.5 32.93 45.08 Favored Glycine 0 C--N 1.331 0.257 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 -111.22 107.9 17.36 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.739 0.304 . . . . 0.0 110.786 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.508 ' O ' ' CG ' ' A' ' 111' ' ' HIS . 30.3 m-85 -102.98 134.93 45.59 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.528 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.508 ' CG ' ' O ' ' A' ' 110' ' ' PHE . 32.3 m-70 -163.56 151.05 12.69 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 121.199 0.523 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 54.6 pttt -58.19 -26.9 63.35 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.119 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -64.08 -41.63 97.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.619 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 5.1 ptm -63.01 -37.63 87.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.999 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 88.7 mt -61.61 -45.01 99.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.93 -178.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -62.13 -40.28 95.39 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.762 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 52.1 m -60.46 -45.28 94.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.412 ' CE2' ' HB1' ' A' ' 101' ' ' ALA . 10.7 m-85 -61.13 -48.46 81.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.99 0.424 . . . . 0.0 110.368 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -61.56 -51.59 67.95 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 120.243 -0.583 . . . . 0.0 109.934 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 14.1 m -58.36 -39.89 80.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.08 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -57.28 -38.69 74.31 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.276 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 10.4 p -63.61 -41.75 98.28 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.564 0.697 . . . . 0.0 110.178 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 34.5 mt -61.18 -40.11 92.66 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.221 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 94.3 mt -63.13 -41.99 99.41 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.63 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 73.3 mt -57.78 -43.04 83.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 C-N-CA 120.211 -0.595 . . . . 0.0 110.195 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.42 ' O ' ' OG1' ' A' ' 129' ' ' THR . 79.8 m-20 -60.78 -39.81 90.22 Favored 'General case' 0 C--O 1.243 0.727 0 CA-C-O 121.725 0.774 . . . . 0.0 109.486 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.645 ' O ' HG22 ' A' ' 130' ' ' VAL . 53.4 t -58.74 -32.66 47.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.372 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 60.6 mt -73.95 -43.23 52.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.147 0.498 . . . . 0.0 110.753 178.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.507 HG22 HD13 ' A' ' 134' ' ' LEU . 77.6 p -51.74 -36.93 49.03 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.592 -177.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.645 HG22 ' O ' ' A' ' 127' ' ' VAL . 3.6 m -41.58 -32.21 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.924 179.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -65.24 -40.14 93.64 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.532 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 129' ' ' THR . . . 96.79 -46.73 1.73 Allowed Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 23.6 mp0 -79.19 63.02 3.72 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 120.748 0.309 . . . . 0.0 111.163 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.681 ' O ' HD23 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -112.44 145.83 39.47 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 121.676 0.75 . . . . 0.0 110.297 179.449 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.402 ' H ' HG22 ' A' ' 135' ' ' THR . 2.8 t -75.33 147.73 39.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.132 178.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . 0.535 ' O ' HG22 ' A' ' 139' ' ' VAL . 31.9 t70 -59.73 -38.85 82.83 Favored 'General case' 0 C--O 1.216 -0.681 0 CA-C-O 121.667 0.746 . . . . 0.0 110.35 179.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 136' ' ' ASP . 44.7 mm-40 -45.34 -33.56 2.55 Favored 'General case' 0 C--N 1.307 -1.255 0 O-C-N 120.997 -1.064 . . . . 0.0 111.257 179.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -67.63 -52.65 35.77 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 120.996 0.427 . . . . 0.0 111.76 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . 0.577 HG13 HD21 ' A' ' 134' ' ' LEU . 2.1 m -60.53 -32.37 51.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.413 0.625 . . . . 0.0 110.28 -179.263 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -63.91 -48.78 75.24 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.241 0.543 . . . . 0.0 110.3 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -60.16 -32.88 71.46 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.053 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -43.91 97.25 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.054 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -60.01 -41.19 91.62 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -69.94 -41.45 74.54 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.304 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -58.92 -39.98 83.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.913 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -65.74 -46.4 79.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.641 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 11.8 t90 -62.74 -47.26 84.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.419 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt -63.21 -36.89 85.15 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.764 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -58.37 -49.98 75.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.945 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 48.9 p -72.52 -39.17 67.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.583 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -58.75 -46.09 88.24 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.443 -179.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 91.6 mt -67.46 -42.98 87.73 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 CA-C-O 121.405 0.621 . . . . 0.0 110.955 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -62.18 -51.21 68.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.022 -178.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -64.21 -27.91 69.39 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.721 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 3.2 m -62.18 -56.44 18.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.836 0.35 . . . . 0.0 111.599 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.479 ' HG ' ' N ' ' A' ' 157' ' ' LYS . 1.7 pp -67.45 -34.14 76.58 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 120.441 -0.504 . . . . 0.0 111.663 -179.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.479 ' N ' ' HG ' ' A' ' 156' ' ' LEU . 48.7 mtmt -65.38 -39.82 92.73 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.119 -179.464 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -72.84 -10.18 59.51 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.518 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 84.89 36.41 11.47 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 110.534 -1.027 . . . . 0.0 110.534 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -138.64 122.38 17.57 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 120.958 0.409 . . . . 0.0 110.574 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 5.1 t -55.01 137.61 66.04 Favored Pre-proline 0 CA--C 1.541 0.597 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.985 -178.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -75.2 150.8 37.84 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 122.496 2.131 . . . . 0.0 111.71 179.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.311 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.22 0 N-CA-C 110.681 -0.968 . . . . 0.0 110.681 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -141.17 151.55 62.14 Favored Pre-proline 0 CA--C 1.535 0.4 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.147 179.372 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_exo -54.24 -168.35 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.587 0 C-N-CA 122.321 2.014 . . . . 0.0 111.784 178.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 157' ' ' GLU . . . . . 0.442 ' CD ' ' N ' ' B' ' 157' ' ' GLU . 3.2 mp0 -100.82 118.67 37.36 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.334 179.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 4.1 mp -133.6 144.76 49.48 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.817 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -83.46 132.54 34.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.732 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 160' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -60.28 -42.52 95.61 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.279 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 161' ' ' ASP . . . . . 0.455 ' O ' ' HG3' ' B' ' 164' ' ' GLU . 5.5 t70 -64.74 -54.14 36.12 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.416 0.627 . . . . 0.0 110.675 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 162' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -60.27 -32.3 71.04 Favored 'General case' 0 C--N 1.315 -0.93 0 O-C-N 121.507 -0.745 . . . . 0.0 110.146 -179.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 41.2 tp -60.96 -43.06 99.29 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.535 -178.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' B' ' 161' ' ' ASP . 0.0 OUTLIER -67.56 -31.72 71.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.619 179.735 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 165' ' ' ALA . . . . . . . . . . . . . . . -60.88 -50.45 73.38 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.424 -178.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -40.38 85.85 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.946 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.26 -53.83 52.97 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 119.547 -0.861 . . . . 0.0 110.423 -177.363 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 168' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -53.23 -44.69 68.27 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -55.99 -49.47 73.54 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.929 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 5.8 tp -55.05 -47.22 75.08 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.267 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -55.43 -45.29 84.27 Favored Glycine 0 CA--C 1.525 0.67 0 C-N-CA 120.491 -0.861 . . . . 0.0 110.982 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 172' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -59.36 -44.15 92.73 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.514 0.673 . . . . 0.0 110.218 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -58.92 -55.55 33.75 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.459 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . 0.447 ' O ' ' OE2' ' B' ' 178' ' ' GLU . 8.7 mp -58.84 -35.76 73.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.346 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 24.8 tp -55.07 -43.05 73.54 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 120.288 -0.565 . . . . 0.0 109.703 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -53.11 -32.9 49.81 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.37 -178.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 177' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -136.41 104.4 5.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.494 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 178' ' ' GLU . . . . . 0.447 ' OE2' ' O ' ' B' ' 174' ' ' LEU . 52.2 mm-40 -112.07 -33.3 6.3 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.005 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 179' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -88.95 112.98 23.98 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.884 0.373 . . . . 0.0 111.004 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 180' ' ' SER . . . . . . . . . . . . . 9.9 m -150.76 146.61 26.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.327 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 8.3 t -62.76 -17.73 61.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.74 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 182' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -59.26 -42.21 90.61 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.57 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 183' ' ' LEU . . . . . . . . . . . . . 14.2 mt -58.71 -41.6 86.72 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.589 -0.445 . . . . 0.0 110.234 -178.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 184' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -64.58 -32.7 74.46 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -61.21 -60.31 3.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.525 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 186' ' ' ALA . . . . . . . . . . . . . . . -56.8 -37.18 70.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.428 -178.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 187' ' ' ALA . . . . . . . . . . . . . . . -68.22 -40.89 81.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.909 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 188' ' ' SER . . . . . 0.54 ' O ' ' O ' ' B' ' 189' ' ' ALA . 18.8 m -64.83 -46.42 81.99 Favored 'General case' 0 CA--C 1.516 -0.338 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.08 -179.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 189' ' ' ALA . . . . . 0.54 ' O ' ' O ' ' B' ' 188' ' ' SER . . . . . . . . 0 CA--C 1.556 1.187 0 O-C-N 123.888 0.743 . . . . 0.0 111.29 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.517 ' HB3' ' NE2' ' A' ' 73' ' ' GLN . . . -86.71 151.89 23.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.2 134.72 44.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.72 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.515 HD22 ' N ' ' A' ' 4' ' ' LEU . 3.7 mm? -88.96 164.34 15.16 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.641 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.25 166.87 34.52 Favored Pre-proline 0 N--CA 1.447 -0.61 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.108 -178.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -62.31 153.09 72.66 Favored 'Trans proline' 0 N--CA 1.495 1.588 0 C-N-CA 122.852 2.368 . . . . 0.0 112.075 179.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.7 mt -99.38 148.12 34.24 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.405 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -54.55 173.86 0.22 Allowed 'Trans proline' 0 N--CA 1.495 1.583 0 C-N-CA 122.705 2.27 . . . . 0.0 111.982 178.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -47.24 162.1 0.21 Allowed 'Trans proline' 0 C--N 1.313 -1.295 0 C-N-CA 122.725 2.284 . . . . 0.0 111.488 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -107.31 100.66 34.63 Favored Pre-proline 0 CA--C 1.542 0.638 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.449 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -53.79 145.32 50.63 Favored 'Trans proline' 0 N--CA 1.495 1.61 0 C-N-CA 122.595 2.197 . . . . 0.0 111.958 178.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.92 -30.17 68.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.011 0.434 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.439 ' OE1' ' N ' ' A' ' 13' ' ' GLN . 4.3 mp0 -58.08 -38.47 76.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.882 0.372 . . . . 0.0 110.7 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.581 ' HB3' HD11 ' A' ' 17' ' ' ILE . 11.8 m-85 -95.72 33.6 1.63 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.048 0.452 . . . . 0.0 110.911 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -80.98 -30.8 34.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.562 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.0 t -69.85 -12.66 61.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.661 0.267 . . . . 0.0 111.095 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.581 HD11 ' HB3' ' A' ' 14' ' ' PHE . 47.6 pt -112.39 3.4 8.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-O 121.007 0.432 . . . . 0.0 110.479 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -56.96 -37.07 71.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.942 -179.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.418 ' HE2' ' C ' ' B' ' 171' ' ' GLY . 77.2 m80 -58.99 -38.71 79.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.558 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 55.1 m80 -65.81 -42.45 90.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.779 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 50.0 mt -62.83 -45.7 91.38 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.066 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.1 mmm-85 -64.0 -41.13 97.59 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.182 0.515 . . . . 0.0 110.202 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 34.2 m -60.97 -44.26 97.58 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.981 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.11 -38.85 89.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.534 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -54.44 -41.11 69.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.266 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -78.5 -51.25 10.24 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.367 0.603 . . . . 0.0 110.663 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.507 ' O ' ' N ' ' A' ' 31' ' ' ASP . 45.8 m80 -57.86 -23.94 55.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.864 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.74 -46.48 64.06 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.38 -179.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -79.79 -46.75 16.38 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.752 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -65.67 -59.22 4.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.06 -179.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 27' ' ' HIS . 1.2 m-20 -137.74 112.9 9.12 Favored Pre-proline 0 CA--C 1.538 0.51 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.111 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -71.08 -29.12 18.17 Favored 'Trans proline' 0 N--CA 1.492 1.386 0 C-N-CA 122.236 1.957 . . . . 0.0 112.168 -179.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 97.4 t -61.4 -47.25 94.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.616 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 95.2 t -67.43 -45.99 84.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.265 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.09 -40.85 95.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.745 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.547 ' N ' HH21 ' A' ' 39' ' ' ARG . 90.4 t80 -60.48 -50.97 71.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.026 0.441 . . . . 0.0 110.447 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -64.92 -40.9 95.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.347 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 44.5 t -55.34 -45.32 76.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.955 0.407 . . . . 0.0 110.299 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.547 HH21 ' N ' ' A' ' 36' ' ' TYR . 68.9 mtm180 -61.23 -41.11 96.31 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.034 179.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.1 tp -55.52 -45.41 77.12 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.473 ' CD1' ' C ' ' A' ' 41' ' ' TYR . 15.0 t80 -57.73 -46.48 84.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.267 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.76 -48.53 79.39 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 123.772 0.67 . . . . 0.0 111.035 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 48.0 ttp -60.95 -41.3 96.03 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 120.829 0.347 . . . . 0.0 110.875 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -59.12 -48.86 80.07 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.08 0.467 . . . . 0.0 111.472 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.8 t -73.4 -36.57 66.05 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.651 -0.419 . . . . 0.0 110.95 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -57.93 -54.87 33.99 Favored Glycine 0 CA--C 1.528 0.86 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.553 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -61.62 -37.72 85.01 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.31 -44.94 88.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.007 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.503 ' O ' ' O ' ' A' ' 50' ' ' ASP . 48.2 mt -84.03 -85.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.197 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.503 ' O ' ' O ' ' A' ' 49' ' ' ILE . 15.4 t70 55.17 135.78 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.206 0 O-C-N 123.772 0.67 . . . . 0.0 111.024 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.21 9.32 42.94 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 120.814 0.34 . . . . 0.0 110.258 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.3 mttt 56.11 67.67 0.97 Allowed 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.432 -179.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.519 HG23 ' H ' ' A' ' 56' ' ' CYS . 1.2 t -145.77 151.21 45.45 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.054 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -57.06 -35.49 98.94 Favored 'Trans proline' 0 N--CA 1.495 1.575 0 C-N-CA 122.431 2.088 . . . . 0.0 112.612 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -65.74 -52.77 48.46 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.35 0.595 . . . . 0.0 110.724 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.519 ' H ' HG23 ' A' ' 53' ' ' THR . 75.2 m -66.92 -40.03 87.52 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.388 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -57.36 -43.34 83.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.05 0.452 . . . . 0.0 110.526 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.7 tptt -62.99 -40.59 98.22 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.39 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -59.13 -44.38 92.02 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.227 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.12 -42.41 98.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.367 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.4 t -58.67 -46.27 87.57 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.704 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.8 mmtm -66.87 -40.86 87.96 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.292 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 33.0 tp -61.8 -47.04 86.92 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.897 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 49.3 ttm -67.34 -35.48 79.47 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.156 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -60.4 -42.77 96.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.93 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -65.46 -45.1 85.07 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.905 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.2 mt -54.01 -48.43 70.46 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.981 -178.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -63.37 -48.75 76.61 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.361 -0.536 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.56 -40.81 88.52 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.483 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.72 -44.93 96.01 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.742 -179.007 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -61.51 -42.18 98.41 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.112 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.71 -39.19 90.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.453 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.517 ' NE2' ' HB3' ' A' ' 2' ' ' ALA . 10.8 mm-40 -58.29 -46.83 85.37 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.45 -179.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.4 mt -72.07 -30.02 64.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.584 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 92.37 -81.54 1.16 Allowed Glycine 0 N--CA 1.458 0.137 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.482 ' O ' ' O ' ' A' ' 77' ' ' ASN . 0.2 OUTLIER -127.36 -59.16 1.24 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.596 0.236 . . . . 0.0 111.017 -179.471 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.482 ' O ' ' O ' ' A' ' 76' ' ' ASP . 47.3 t-20 46.27 105.63 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.802 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.642 ' CD ' ' H ' ' A' ' 78' ' ' GLU . 3.2 mp0 -42.17 -41.35 2.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.977 0.418 . . . . 0.0 110.709 -179.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.67 -36.49 74.26 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.481 HD12 ' CD2' ' A' ' 36' ' ' TYR . 44.2 mm -88.42 -48.68 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.583 179.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.0 -54.55 10.83 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.942 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 78' ' ' GLU . 66.6 mt-30 -90.73 98.55 11.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.145 0.498 . . . . 0.0 110.356 -179.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.616 ' CD ' ' H ' ' A' ' 83' ' ' GLU . 2.0 pm0 -61.34 -21.26 63.85 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.088 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 7.4 mm -58.88 -52.44 60.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.966 0.412 . . . . 0.0 110.937 -178.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.5 m -72.54 -33.2 44.32 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -60.11 -40.33 97.01 Favored Glycine 0 C--N 1.335 0.511 0 N-CA-C 110.141 -1.184 . . . . 0.0 110.141 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.596 ' SG ' ' CZ ' ' A' ' 131' ' ' PHE . 89.5 m -65.69 -48.69 71.21 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 178.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.78 -36.55 74.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.368 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -64.23 -45.4 88.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.383 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.7 mt -62.01 -41.39 98.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.512 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -63.64 -46.19 86.76 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.211 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 -64.59 -45.27 87.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.497 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -62.82 -49.59 74.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.373 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.87 -41.07 97.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.147 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.9 tt -64.43 -41.25 96.69 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.722 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.542 ' NZ ' ' O ' ' B' ' 186' ' ' ALA . 25.3 ttpp -60.02 -44.81 94.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.591 -179.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 47.7 ttm -67.39 -43.88 80.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.595 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -60.41 -50.82 72.06 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -59.77 -41.82 91.9 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 120.831 0.348 . . . . 0.0 110.695 -179.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.553 ' O ' ' ND2' ' A' ' 103' ' ' ASN . 30.0 t80 -57.25 -50.41 72.98 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-O 121.211 0.529 . . . . 0.0 110.391 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.1 -39.13 79.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.108 0.48 . . . . 0.0 111.129 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.27 -42.66 99.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.314 -179.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.553 ' ND2' ' O ' ' A' ' 100' ' ' TYR . 0.4 OUTLIER -61.96 -45.84 91.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.262 0.553 . . . . 0.0 110.119 -179.874 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.412 ' N ' ' CG ' ' A' ' 103' ' ' ASN . 92.8 mt-10 -61.56 -34.16 75.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.759 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.519 ' OD2' ' NZ ' ' A' ' 148' ' ' LYS . 32.1 t0 -62.22 -56.42 18.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.18 -29.87 70.23 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.91 0.386 . . . . 0.0 110.708 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.89 -12.04 33.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.308 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 83.04 23.07 56.33 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.129 -0.789 . . . . 0.0 111.129 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -117.78 101.29 8.2 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 120.926 0.393 . . . . 0.0 110.108 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.585 ' CD1' ' N ' ' A' ' 110' ' ' PHE . 0.7 OUTLIER -110.42 142.45 42.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.614 -179.668 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.524 ' CD2' ' O ' ' A' ' 110' ' ' PHE . 32.1 m80 -159.24 168.08 27.38 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.437 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -57.37 -37.05 72.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.283 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -64.99 -39.92 94.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.428 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 4.4 tmm? -56.8 -48.92 76.85 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.242 0.544 . . . . 0.0 109.906 -179.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 65.2 mt -61.38 -38.33 79.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.863 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -62.0 -37.74 85.98 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.608 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 23.1 t -61.86 -44.83 96.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.883 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -61.93 -45.39 93.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.895 0.379 . . . . 0.0 110.729 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -60.21 -48.51 81.44 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.36 0.6 . . . . 0.0 109.966 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 96.6 m -59.52 -42.35 92.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.035 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -53.94 -41.04 67.31 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 35.1 p -61.8 -40.51 95.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.303 0.573 . . . . 0.0 110.378 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 82.6 mt -62.23 -41.22 98.21 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.552 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.54 -39.33 94.13 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.293 0.568 . . . . 0.0 110.494 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 90.3 mt -60.12 -42.81 91.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 C-N-CA 120.227 -0.589 . . . . 0.0 109.613 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.578 ' O ' ' OG1' ' A' ' 129' ' ' THR . 0.8 OUTLIER -61.37 -39.86 92.18 Favored 'General case' 0 C--O 1.243 0.758 0 CA-C-O 122.077 0.941 . . . . 0.0 109.039 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.723 ' O ' HG22 ' A' ' 130' ' ' VAL . 57.0 t -57.55 -34.99 48.43 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.548 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 179.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 80.9 mt -71.56 -44.31 70.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.409 0.624 . . . . 0.0 110.783 178.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.578 ' OG1' ' O ' ' A' ' 126' ' ' ASP . 37.3 p -49.29 -36.2 20.15 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.047 0.451 . . . . 0.0 110.505 -178.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.723 HG22 ' O ' ' A' ' 127' ' ' VAL . 3.0 m -46.61 -15.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 C-N-CA 120.135 -0.626 . . . . 0.0 110.906 179.174 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.596 ' CZ ' ' SG ' ' A' ' 87' ' ' CYS . 25.2 m-85 -78.71 22.41 0.36 Allowed 'General case' 0 CA--C 1.513 -0.462 0 CA-C-O 120.805 0.335 . . . . 0.0 110.112 -178.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.418 ' H ' ' C ' ' A' ' 130' ' ' VAL . . . 87.35 -82.13 1.62 Allowed Glycine 0 CA--C 1.521 0.428 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.568 178.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -131.61 160.88 34.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.17 0.509 . . . . 0.0 110.503 -179.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.544 HD21 HG22 ' A' ' 129' ' ' THR . 0.3 OUTLIER -144.62 179.88 7.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.661 -179.563 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 7.2 t -83.0 153.23 25.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.35 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -58.57 -27.45 64.62 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.988 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -55.97 -47.04 78.4 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.308 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 47.2 m-20 -61.83 -60.78 3.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.075 0.464 . . . . 0.0 111.73 -178.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 23.1 m -51.52 -35.95 17.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.662 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -60.75 -46.99 88.3 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.602 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -61.9 -35.58 78.8 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.81 -44.75 93.84 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.356 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 16.8 ttmt -61.14 -43.94 98.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.323 -178.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -71.55 -36.12 70.85 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.287 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -60.87 -48.47 81.67 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.784 -179.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.483 ' HG3' ' N ' ' A' ' 147' ' ' TRP . 9.8 ptp180 -71.05 -40.5 71.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.257 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' TRP . . . . . 0.483 ' N ' ' HG3' ' A' ' 146' ' ' ARG . 25.2 t90 -58.2 -52.32 66.06 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 120.947 0.403 . . . . 0.0 110.67 -178.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.519 ' NZ ' ' OD2' ' A' ' 105' ' ' ASP . 26.8 tttm -62.02 -36.77 82.55 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.39 -179.392 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -52.69 -50.3 63.57 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.137 0.494 . . . . 0.0 110.254 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 22.2 p -70.81 -42.6 70.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.342 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -51.02 -50.17 59.06 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.503 -179.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.64 -42.69 95.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.194 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -64.63 -38.06 89.71 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.606 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -61.93 -42.32 98.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.375 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 91.5 m -66.49 -34.38 77.79 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.669 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.616 ' O ' HD23 ' A' ' 156' ' ' LEU . 4.0 tt -58.22 -50.26 74.17 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-O 121.258 0.552 . . . . 0.0 110.021 -179.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -63.61 -39.7 95.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.143 0.497 . . . . 0.0 110.669 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -69.74 -21.73 63.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.903 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 78.68 52.11 5.21 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -130.45 135.42 47.97 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 121.102 0.477 . . . . 0.0 111.069 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 6.6 m -56.1 129.33 73.16 Favored Pre-proline 0 CA--C 1.538 0.514 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.142 -178.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -63.9 142.36 81.7 Favored 'Trans proline' 0 N--CA 1.496 1.672 0 C-N-CA 122.301 2.0 . . . . 0.0 112.179 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 . . . . . 0 N--CA 1.462 0.155 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.33 179.866 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.23 0 N-CA-C 110.284 -1.126 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 1.2 p -123.94 151.62 65.21 Favored Pre-proline 0 CA--C 1.535 0.37 0 CA-C-O 120.623 0.249 . . . . 0.0 110.552 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.22 -171.77 0.65 Allowed 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 122.877 2.384 . . . . 0.0 111.815 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 157' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -82.23 100.0 9.62 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.041 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 12.5 mt -110.97 130.81 55.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.884 0.373 . . . . 0.0 110.691 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -68.23 135.16 51.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.16 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 160' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -66.23 -33.19 75.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 161' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.92 -49.47 70.28 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.108 0.48 . . . . 0.0 110.545 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 162' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -63.4 -41.08 98.73 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.611 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 12.8 mt -56.58 -48.09 78.13 Favored 'General case' 0 C--O 1.232 0.149 0 O-C-N 123.354 0.409 . . . . 0.0 111.247 -178.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -63.64 -35.31 80.12 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.317 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 165' ' ' ALA . . . . . . . . . . . . . . . -60.3 -46.92 88.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.116 0.484 . . . . 0.0 111.621 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.88 -45.36 71.2 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.538 -179.106 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.89 -58.28 9.34 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.115 0.483 . . . . 0.0 110.617 -178.161 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 168' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -52.14 -46.23 65.32 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.043 -178.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -58.54 -47.28 84.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.526 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 170' ' ' LEU . . . . . 0.448 ' HG ' HD13 ' B' ' 174' ' ' LEU . 53.8 tp -58.98 -44.3 91.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.161 -179.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 171' ' ' GLY . . . . . 0.418 ' C ' ' HE2' ' A' ' 19' ' ' HIS . . . -54.54 -44.21 78.22 Favored Glycine 0 CA--C 1.525 0.672 0 C-N-CA 120.498 -0.858 . . . . 0.0 111.075 -179.121 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 172' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -61.67 -42.7 99.28 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.195 0.521 . . . . 0.0 110.471 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -67.4 -38.35 84.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.125 0.488 . . . . 0.0 110.814 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . 0.448 HD13 ' HG ' ' B' ' 170' ' ' LEU . 3.9 mp -63.84 -41.3 97.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.677 -179.028 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 175' ' ' LEU . . . . . 0.688 ' O ' HD12 ' B' ' 175' ' ' LEU . 1.2 pp -87.62 -11.1 49.53 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.973 -179.278 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -82.92 -40.91 19.51 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.462 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 177' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -61.12 167.67 2.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.218 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 178' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -141.26 8.93 2.05 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.681 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 179' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -119.8 128.94 54.18 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.12 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 180' ' ' SER . . . . . . . . . . . . . 39.7 t -175.3 67.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.844 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 10.8 t -63.07 -32.7 74.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.326 0.584 . . . . 0.0 110.5 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 182' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -59.4 -32.0 69.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.531 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 183' ' ' LEU . . . . . . . . . . . . . 45.7 tp -60.29 -46.38 90.07 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 120.219 -0.593 . . . . 0.0 110.054 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 184' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -67.53 -28.17 67.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.086 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 185' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' B' ' 189' ' ' ALA . 0.5 OUTLIER -71.02 -55.81 7.5 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.688 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 186' ' ' ALA . . . . . 0.542 ' O ' ' NZ ' ' A' ' 96' ' ' LYS . . . -64.16 -38.1 89.84 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.844 0.354 . . . . 0.0 110.995 -179.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 187' ' ' ALA . . . . . . . . . . . . . . . -65.07 -64.93 0.75 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.128 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 188' ' ' SER . . . . . 0.427 ' O ' ' O ' ' B' ' 189' ' ' ALA . 26.9 t -70.29 -43.62 70.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.977 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 189' ' ' ALA . . . . . 0.427 ' O ' ' O ' ' B' ' 188' ' ' SER . . . . . . . . 0 C--N 1.326 -0.434 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.063 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.457 ' C ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.478 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.14 155.83 21.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.345 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.25 138.82 31.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.431 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.562 HD11 HD23 ' A' ' 70' ' ' LEU . 78.4 mt -91.54 159.54 15.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.505 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.83 156.04 74.61 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.537 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.2 143.99 45.4 Favored 'Trans proline' 0 N--CA 1.493 1.472 0 C-N-CA 122.734 2.289 . . . . 0.0 111.404 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.7 mt -93.37 146.79 32.51 Favored Pre-proline 0 C--N 1.329 -0.322 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.625 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -69.76 164.86 32.96 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 122.359 2.039 . . . . 0.0 112.372 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -52.41 128.32 27.3 Favored 'Trans proline' 0 N--CA 1.492 1.4 0 C-N-CA 122.691 2.261 . . . . 0.0 110.691 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 pp -90.09 131.55 38.67 Favored Pre-proline 0 CA--C 1.538 0.488 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.14 -179.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -47.58 153.35 2.19 Favored 'Trans proline' 0 N--CA 1.501 1.966 0 C-N-CA 122.362 2.041 . . . . 0.0 112.525 178.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.82 -23.06 28.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.669 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -62.23 -28.56 69.78 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.835 0.35 . . . . 0.0 110.651 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.482 ' HB3' HD11 ' A' ' 17' ' ' ILE . 20.5 m-30 -100.25 15.62 26.99 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.265 0.555 . . . . 0.0 110.869 -179.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.9 pttm -58.29 -26.78 63.39 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.58 178.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.8 t -68.67 -48.49 63.83 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.447 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.482 HD11 ' HB3' ' A' ' 14' ' ' PHE . 41.1 pt -76.61 -11.54 13.88 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.243 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.282 -179.375 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -50.89 -44.98 59.95 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.358 -179.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.422 ' CD2' ' N ' ' A' ' 19' ' ' HIS . 8.0 m170 -65.01 -40.84 95.49 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.771 -0.371 . . . . 0.0 110.175 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.546 ' NE2' ' CG2' ' A' ' 127' ' ' VAL . 2.0 t-80 -62.55 -42.32 99.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.336 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 88.4 mt -63.39 -41.39 98.76 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.59 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.2 tpt85 -61.8 -43.86 98.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.008 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.6 m -60.96 -43.77 98.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.518 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 28' ' ' ASP . . . -55.27 -49.33 72.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.688 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -56.44 -42.85 78.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.503 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.487 ' OE1' ' N ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -66.12 -35.64 81.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.429 179.758 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.428 ' O ' ' N ' ' A' ' 31' ' ' ASP . 7.5 m80 -85.37 -18.61 33.24 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.568 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 24' ' ' ALA . 48.7 t0 -60.61 -43.15 97.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.836 0.35 . . . . 0.0 110.494 -179.478 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.1 ptpp? -68.37 -27.29 66.11 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.563 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -90.66 -64.79 1.08 Allowed 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.11 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 27' ' ' HIS . 41.5 m-20 -125.18 115.24 25.91 Favored Pre-proline 0 CA--C 1.538 0.503 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.139 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -72.48 -29.65 13.26 Favored 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 121.937 1.758 . . . . 0.0 111.997 -179.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 50.9 t -62.32 -46.25 96.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.004 -179.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 87.0 t -64.82 -47.06 90.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.261 179.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.1 -38.78 90.19 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.828 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -56.54 -49.33 75.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.895 0.379 . . . . 0.0 110.165 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -64.38 -38.93 92.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.337 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 66.5 m -58.24 -47.3 83.99 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.877 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.507 HH12 HD23 ' A' ' 70' ' ' LEU . 64.0 mtt180 -59.93 -44.35 94.38 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.438 ' O ' HD23 ' A' ' 40' ' ' LEU . 4.2 tt -60.68 -46.35 90.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.701 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.431 ' CD1' ' C ' ' A' ' 41' ' ' TYR . 2.9 t80 -52.97 -43.51 66.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.979 0.419 . . . . 0.0 110.148 178.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.5 -48.97 78.64 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.644 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.1 ttp -50.16 -63.54 1.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.834 0.35 . . . . 0.0 110.863 -178.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.418 HE22 ' HB ' ' A' ' 130' ' ' VAL . 13.3 pt20 -54.0 -35.46 61.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.607 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 96.3 m -72.05 -40.01 68.66 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.324 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -62.79 -51.8 53.1 Favored Glycine 0 CA--C 1.527 0.784 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.858 -178.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.614 ' SD ' ' N ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -61.26 -37.95 84.95 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.855 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.614 ' N ' ' SD ' ' A' ' 47' ' ' MET . 23.7 tttp -61.62 -43.3 99.11 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.5 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.466 ' O ' ' O ' ' A' ' 50' ' ' ASP . 67.1 mt -75.89 -53.94 14.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.506 -179.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.466 ' O ' ' O ' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -48.16 -176.78 0.0 OUTLIER 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.367 0.603 . . . . 0.0 110.51 -178.576 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.4 m -162.46 58.29 0.22 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.705 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 91.4 mttt 63.34 101.23 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.342 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.448 ' CG2' ' SG ' ' A' ' 56' ' ' CYS . 3.7 t -165.52 146.61 5.99 Favored Pre-proline 0 C--N 1.327 -0.386 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.684 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -59.66 -39.77 70.99 Favored 'Trans proline' 0 N--CA 1.5 1.876 0 C-N-CA 122.291 1.994 . . . . 0.0 112.844 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.99 -58.5 8.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.972 0.415 . . . . 0.0 110.867 -179.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.448 ' SG ' ' CG2' ' A' ' 53' ' ' THR . 58.3 m -63.89 -39.75 94.92 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.704 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.0 ttm-85 -56.85 -45.86 82.15 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.697 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 44.5 tttp -65.43 -43.5 90.27 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.545 179.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -60.03 -46.62 88.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.784 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.433 HD13 ' O ' ' A' ' 56' ' ' CYS . 7.3 mp -64.13 -41.27 97.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.576 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 71.1 m -54.89 -47.21 74.59 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.544 -178.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -68.08 -41.97 81.09 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.689 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 41.7 tp -61.8 -43.8 98.13 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.519 -0.472 . . . . 0.0 110.411 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.438 ' SD ' ' OE2' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -64.71 -41.67 95.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.529 -179.636 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -62.61 -39.96 95.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.696 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -64.19 -39.25 93.59 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.508 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.5 mt -61.17 -42.29 98.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.936 0.398 . . . . 0.0 110.352 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.438 ' OE2' ' SD ' ' A' ' 64' ' ' MET . 96.7 mt-10 -63.75 -48.23 77.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.707 -179.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.78 -44.06 94.1 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.366 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.615 HD13 ' O ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -61.79 -41.85 98.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.235 0.541 . . . . 0.0 109.617 -179.536 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.9 tttt -55.85 -41.2 73.95 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -63.91 -44.44 92.95 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 120.728 0.299 . . . . 0.0 111.627 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -49.89 -55.15 15.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.952 0.406 . . . . 0.0 110.575 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.561 ' O ' ' N ' ' A' ' 76' ' ' ASP . 15.4 mt -66.76 -31.86 72.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.644 -179.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 46.57 -83.96 0.01 OUTLIER Glycine 0 CA--C 1.528 0.889 0 CA-C-N 116.11 -0.496 . . . . 0.0 112.054 178.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.561 ' N ' ' O ' ' A' ' 74' ' ' LEU . 69.3 m-20 -87.49 83.41 7.28 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.8 0.334 . . . . 0.0 111.138 -178.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.406 ' OD1' ' HB3' ' A' ' 79' ' ' ALA . 32.2 t-20 -143.58 119.36 10.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.803 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -72.38 -30.06 64.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.628 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.406 ' HB3' ' OD1' ' A' ' 77' ' ' ASN . . . -62.2 -37.17 84.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.329 -179.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.6 mp -87.47 -50.45 13.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.947 0.403 . . . . 0.0 110.405 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 75.9 p -63.55 -33.57 75.9 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.476 -178.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -121.36 112.73 18.94 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -65.25 -24.32 67.29 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.549 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.5 mt -49.8 -60.85 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.364 -178.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.442 ' H ' HG12 ' A' ' 85' ' ' VAL . 0.4 OUTLIER -72.75 -33.51 44.37 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.913 178.864 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.79 -44.77 96.71 Favored Glycine 0 CA--C 1.521 0.458 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 51.6 t -65.37 -45.84 82.52 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.409 ' O ' ' ND2' ' A' ' 92' ' ' ASN . . . -56.47 -37.94 71.0 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.363 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -45.71 93.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.554 179.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.402 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.1 OUTLIER -61.54 -43.29 99.13 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.508 -177.28 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -58.87 -46.14 88.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.593 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.409 ' ND2' ' O ' ' A' ' 88' ' ' ALA . 76.9 m-20 -63.06 -45.55 91.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.727 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -65.05 -44.79 87.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.948 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.81 -42.41 98.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.685 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 69.0 mt -68.67 -38.8 80.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.742 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.52 ' NZ ' ' O ' ' B' ' 186' ' ' ALA . 11.9 tmtt? -61.82 -43.96 97.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.884 -179.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 11.0 tpp -65.53 -46.45 79.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.881 0.372 . . . . 0.0 110.609 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -57.47 -48.31 79.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.878 -178.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -59.19 -42.41 90.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.599 -179.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -55.25 -49.19 72.65 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.538 -0.465 . . . . 0.0 109.928 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.74 -44.48 70.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.888 0.375 . . . . 0.0 111.058 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -60.14 -40.46 89.88 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.193 -179.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -62.95 -43.95 97.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.475 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -65.77 -27.82 68.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.613 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.528 ' OD2' ' NZ ' ' A' ' 148' ' ' LYS . 18.1 t0 -69.06 -43.63 74.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.826 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -64.32 -38.46 91.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.978 0.418 . . . . 0.0 110.197 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.61 -9.18 8.06 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.283 -178.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 80.55 33.42 31.22 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.523 ' O ' ' SD ' ' A' ' 114' ' ' MET . 40.3 ttm180 -112.98 106.82 15.16 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.751 0.31 . . . . 0.0 110.549 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -108.69 134.14 51.82 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.093 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -157.37 163.44 38.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.386 0.612 . . . . 0.0 110.621 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.441 ' H ' ' HD2' ' A' ' 112' ' ' LYS . 6.0 mptt -64.06 -36.29 83.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.211 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.638 ' ND2' ' CE1' ' B' ' 182' ' ' TYR . 86.6 m-20 -61.06 -41.41 96.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.26 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.523 ' SD ' ' O ' ' A' ' 109' ' ' ARG . 19.1 mtp -62.88 -40.33 97.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.163 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 90.2 mt -59.45 -42.54 88.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 C-N-CA 120.333 -0.547 . . . . 0.0 109.904 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.497 ' HG3' HD21 ' B' ' 174' ' ' LEU . 82.2 tttt -63.88 -35.67 81.41 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.614 179.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 34.9 m -60.78 -45.15 95.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.782 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -61.66 -44.85 96.18 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.029 0.443 . . . . 0.0 110.329 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -56.92 -46.84 81.72 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.334 0.588 . . . . 0.0 109.537 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 7.1 m -57.52 -43.41 84.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.176 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -55.45 -42.71 74.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.845 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 83.1 p -60.42 -41.98 95.07 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 121.027 0.441 . . . . 0.0 110.682 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.5 mp -61.94 -42.34 98.99 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.696 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 9.0 mp -62.38 -40.55 96.82 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.6 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 83.2 mt -56.73 -43.85 80.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 C-N-CA 119.519 -0.872 . . . . 0.0 109.594 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -59.05 -40.56 85.51 Favored 'General case' 0 C--O 1.248 0.979 0 CA-C-O 121.64 0.733 . . . . 0.0 110.144 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.673 ' O ' HG22 ' A' ' 130' ' ' VAL . 88.4 t -58.1 -32.03 43.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.455 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 66.7 mt -72.85 -44.78 57.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.652 178.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.46 HG22 HD22 ' A' ' 134' ' ' LEU . 81.5 p -49.31 -34.77 16.42 Favored 'General case' 0 CA--C 1.513 -0.476 0 C-N-CA 120.704 -0.399 . . . . 0.0 110.32 -178.067 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.673 HG22 ' O ' ' A' ' 127' ' ' VAL . 4.8 m -42.29 -35.43 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 C-N-CA 120.237 -0.585 . . . . 0.0 111.03 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -63.02 -41.68 99.61 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 121.014 0.435 . . . . 0.0 110.563 -179.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 102.07 -17.68 53.64 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -102.02 66.26 1.02 Allowed 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.892 0.377 . . . . 0.0 110.407 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.46 HD22 HG22 ' A' ' 129' ' ' THR . 6.4 tp -94.45 123.44 37.87 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 -179.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 8.8 t -80.21 166.0 21.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.256 0.55 . . . . 0.0 110.475 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -58.86 -41.35 86.81 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.163 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -43.8 -49.4 8.14 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 120.835 0.35 . . . . 0.0 110.451 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.32 -39.63 92.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.155 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 85.5 t -59.81 -46.47 93.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.151 0.5 . . . . 0.0 110.463 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -63.23 -44.98 93.71 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.314 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 35.7 m170 -61.69 -42.14 98.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.164 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -52.0 -52.43 50.67 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.132 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 36.1 mmtm -67.57 -35.83 79.77 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.407 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -70.89 -41.43 71.33 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -62.28 -47.74 83.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.981 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -67.04 -40.69 87.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.567 179.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 17.9 t90 -56.81 -51.11 70.22 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.106 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.528 ' NZ ' ' OD2' ' A' ' 105' ' ' ASP . 6.0 mmtp -60.03 -42.52 94.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.454 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -58.09 -47.78 82.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.991 0.424 . . . . 0.0 110.287 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 76.3 p -72.99 -44.73 60.71 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.198 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -50.17 -52.11 38.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.723 0.297 . . . . 0.0 110.266 -178.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 85.5 mt -63.3 -43.24 98.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.147 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . 0.46 ' CE1' ' OE2' ' B' ' 173' ' ' GLU . 82.4 t60 -63.07 -44.06 96.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.983 -179.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -64.35 -42.12 96.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.764 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 6.6 p -66.25 -32.96 74.69 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.351 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 1.3 tp -61.37 -47.09 87.43 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.082 179.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -64.12 -39.13 93.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.42 -178.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -67.45 -20.3 65.48 Favored 'General case' 0 C--N 1.317 -0.826 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.211 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 82.33 51.55 4.34 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 110.619 -0.992 . . . . 0.0 110.619 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -135.96 128.35 30.28 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.018 0.437 . . . . 0.0 110.213 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . 0.56 ' O ' HG23 ' A' ' 161' ' ' THR . 14.8 t -53.97 121.94 32.25 Favored Pre-proline 0 CA--C 1.538 0.519 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.427 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -49.01 138.31 27.55 Favored 'Trans proline' 0 N--CA 1.497 1.733 0 C-N-CA 121.916 1.744 . . . . 0.0 112.421 179.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 . . . . . 0 N--CA 1.463 0.217 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.108 179.558 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.462 0 N-CA-C 110.362 -1.095 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.06 131.35 22.22 Favored Pre-proline 0 CA--C 1.545 0.751 0 C-N-CA 121.011 -0.276 . . . . 0.0 110.683 -179.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -45.9 167.15 0.06 OUTLIER 'Trans proline' 0 N--CA 1.496 1.631 0 C-N-CA 122.084 1.856 . . . . 0.0 111.957 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 157' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -83.46 107.99 16.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.638 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 25.7 mt -113.2 125.08 53.94 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -71.42 131.22 43.04 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 160' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -57.23 -38.66 74.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 161' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -67.15 -49.9 63.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.889 0.376 . . . . 0.0 111.051 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 162' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -63.93 -38.15 90.01 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.451 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 163' ' ' LEU . . . . . 0.54 ' O ' HD23 ' B' ' 163' ' ' LEU . 2.1 tt -59.84 -44.23 94.18 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.948 0.404 . . . . 0.0 110.168 -178.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -65.4 -35.59 81.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.007 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 165' ' ' ALA . . . . . . . . . . . . . . . -59.67 -46.84 87.82 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.058 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.21 -37.97 72.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.834 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.77 -56.1 20.56 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.24 -178.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 168' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -55.26 -43.12 74.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.238 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -57.74 -47.32 82.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.37 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 170' ' ' LEU . . . . . 0.411 HD12 ' OE2' ' B' ' 173' ' ' GLU . 2.8 tp -57.98 -43.68 86.68 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.114 -179.114 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -55.54 -42.82 85.15 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.699 -0.96 . . . . 0.0 110.699 -179.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 172' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -59.07 -49.54 77.5 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.896 0.379 . . . . 0.0 110.933 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 173' ' ' GLU . . . . . 0.46 ' OE2' ' CE1' ' A' ' 153' ' ' HIS . 1.5 pt-20 -67.2 -43.65 81.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.867 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . 0.497 HD21 ' HG3' ' A' ' 116' ' ' LYS . 3.4 tp -64.47 -39.47 93.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.329 -178.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 48.9 tp -60.27 -42.69 95.92 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.889 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -71.72 -38.57 70.46 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 120.53 -0.468 . . . . 0.0 111.588 -179.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 177' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -46.57 141.85 3.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.513 -179.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 178' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -129.65 12.24 5.82 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.7 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 179' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -120.75 124.83 46.08 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.292 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 180' ' ' SER . . . . . . . . . . . . . 27.3 p -179.52 61.25 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.791 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 12.7 t -65.71 -21.25 66.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.055 0.455 . . . . 0.0 110.683 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 182' ' ' TYR . . . . . 0.638 ' CE1' ' ND2' ' A' ' 113' ' ' ASN . 15.6 m-85 -57.32 -29.91 64.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.186 -179.468 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 183' ' ' LEU . . . . . . . . . . . . . 19.1 mt -61.96 -42.12 98.76 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.385 179.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 184' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -67.59 -35.96 79.96 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 121.017 0.437 . . . . 0.0 110.456 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 185' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' B' ' 189' ' ' ALA . 66.2 mm-40 -70.73 -43.28 69.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.864 179.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 186' ' ' ALA . . . . . 0.52 ' O ' ' NZ ' ' A' ' 96' ' ' LYS . . . -62.61 -39.6 94.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.731 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 187' ' ' ALA . . . . . . . . . . . . . . . -71.49 -45.1 63.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.845 0.355 . . . . 0.0 110.762 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 188' ' ' SER . . . . . . . . . . . . . 4.6 t -78.73 -18.76 53.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.384 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 189' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' B' ' 185' ' ' GLU . . . . . . . . 0 CA--C 1.542 0.637 0 C-N-CA 120.344 -0.542 . . . . 0.0 110.634 -178.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 ptt? . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.36 142.45 58.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.81 131.39 39.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.353 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.637 HD22 ' N ' ' A' ' 4' ' ' LEU . 3.6 mm? -84.63 147.76 26.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.84 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.559 ' HB1' ' HD2' ' A' ' 6' ' ' PRO . . . -64.73 162.4 36.63 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.131 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.559 ' HD2' ' HB1' ' A' ' 5' ' ' ALA . 58.8 Cg_endo -71.38 148.56 55.05 Favored 'Trans proline' 0 C--N 1.309 -1.55 0 C-N-CA 122.69 2.26 . . . . 0.0 111.915 179.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.9 mt -90.07 147.6 37.51 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.49 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -63.81 166.35 16.26 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.652 2.235 . . . . 0.0 112.196 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -41.22 135.8 2.59 Favored 'Trans proline' 0 C--N 1.312 -1.352 0 C-N-CA 122.473 2.115 . . . . 0.0 111.878 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.44 121.6 63.05 Favored Pre-proline 0 CA--C 1.54 0.56 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.762 -179.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -71.31 152.13 60.85 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.251 1.967 . . . . 0.0 111.938 178.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.73 -33.29 71.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.804 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -56.47 -34.86 67.29 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.637 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -93.85 29.6 2.04 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.141 0.496 . . . . 0.0 110.163 -178.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.6 ttmt -75.03 -32.01 61.47 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.664 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.0 m -54.91 -17.94 4.3 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.672 -178.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 44.9 pt -116.39 8.99 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.52 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.3 -52.94 63.48 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.234 -178.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.502 ' C ' ' HD1' ' A' ' 19' ' ' HIS . 6.8 t-80 -59.73 -37.81 79.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.05 0.452 . . . . 0.0 110.732 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -64.31 -39.21 93.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.599 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.484 ' CD2' HH12 ' A' ' 39' ' ' ARG . 71.7 mt -62.33 -44.32 96.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.214 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -61.69 -40.74 96.08 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.431 -179.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.3 m -60.51 -43.24 97.29 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.99 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.424 ' O ' ' OD2' ' A' ' 28' ' ' ASP . . . -65.6 -43.86 88.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.702 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -51.06 -41.37 59.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.291 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -79.45 -48.06 14.59 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.244 0.545 . . . . 0.0 110.945 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.427 ' O ' ' N ' ' A' ' 31' ' ' ASP . 0.3 OUTLIER -62.43 -20.55 64.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.615 -179.203 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.424 ' OD2' ' O ' ' A' ' 24' ' ' ALA . 6.7 m-20 -52.57 -41.83 63.95 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -88.41 -35.12 17.27 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.251 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.536 ' NH1' ' OD1' ' B' ' 184' ' ' ASP . 26.7 ttm-85 -70.57 -58.6 3.52 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.524 -0.471 . . . . 0.0 110.76 -178.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 27' ' ' HIS . 17.1 m-20 -135.01 114.88 11.9 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.72 -179.411 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -74.99 -30.02 7.62 Favored 'Trans proline' 0 N--CA 1.489 1.264 0 C-N-CA 122.286 1.991 . . . . 0.0 112.236 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 87.6 t -61.84 -49.89 82.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.55 -179.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.495 ' O ' ' SG ' ' A' ' 38' ' ' CYS . 64.3 t -68.33 -45.51 82.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.357 179.346 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.11 -39.52 82.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.799 -179.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.419 ' CD2' HD12 ' A' ' 80' ' ' ILE . 87.0 t80 -60.96 -50.14 74.6 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.065 0.46 . . . . 0.0 110.391 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -66.23 -34.94 79.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.375 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.495 ' SG ' ' O ' ' A' ' 34' ' ' VAL . 91.2 m -59.4 -45.21 92.12 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.095 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.484 HH12 ' CD2' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -61.4 -44.17 97.6 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.818 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.3 tp -58.68 -44.54 90.25 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.106 -0.638 . . . . 0.0 109.683 -179.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -55.05 -47.05 75.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.988 0.423 . . . . 0.0 110.083 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.29 -46.66 89.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.237 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 7.6 ttt -59.01 -43.72 91.57 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.613 -178.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -62.91 -44.57 95.72 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.251 0.548 . . . . 0.0 110.987 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.2 m -73.6 -43.26 60.12 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.085 0.469 . . . . 0.0 110.244 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.95 -52.72 37.64 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 -179.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.48 ' O ' ' O ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -65.69 -36.05 82.53 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.9 0.381 . . . . 0.0 110.146 179.459 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.479 ' N ' ' SD ' ' A' ' 47' ' ' MET . 15.8 tttp -63.29 -40.35 97.12 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.265 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 81.4 mt -66.8 -47.04 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.527 -179.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.649 ' OD2' HG22 ' A' ' 53' ' ' THR . 22.2 t70 -153.04 -135.37 0.06 Allowed 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 118.935 -0.555 . . . . 0.0 109.63 -179.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.574 ' CB ' ' O ' ' A' ' 50' ' ' ASP . 24.5 p 130.62 -35.85 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.96 0 O-C-N 124.187 0.929 . . . . 0.0 110.355 179.044 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -60.76 -47.78 84.76 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.257 -178.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.673 HG23 ' H ' ' A' ' 56' ' ' CYS . 12.0 t -56.94 136.77 79.74 Favored Pre-proline 0 C--N 1.32 -0.693 0 C-N-CA 120.388 -0.525 . . . . 0.0 111.087 -179.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.94 -35.96 73.18 Favored 'Trans proline' 0 N--CA 1.497 1.734 0 C-N-CA 122.117 1.878 . . . . 0.0 112.641 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -55.33 -47.54 75.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.863 0.363 . . . . 0.0 110.466 -178.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.673 ' H ' HG23 ' A' ' 53' ' ' THR . 17.9 t -71.11 -32.06 68.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.076 179.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 59.3 ttt-85 -55.62 -52.25 64.43 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.443 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -41.4 89.26 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.699 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -60.37 -47.44 86.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.467 -179.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.408 ' CD1' ' SG ' ' A' ' 56' ' ' CYS . 24.4 mt -63.81 -41.42 97.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.644 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 57.1 m -53.1 -50.13 65.08 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.86 0.362 . . . . 0.0 110.644 -178.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.431 ' NZ ' ' HB3' ' A' ' 5' ' ' ALA . 53.0 tptt -65.21 -43.61 91.0 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.449 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 36.2 tp -60.71 -42.9 98.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.262 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 37.7 ttm -65.51 -41.59 93.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.006 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -62.09 -39.41 92.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.331 -179.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -62.46 -42.93 99.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.446 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.7 mt -59.67 -45.43 92.09 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.611 -179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -67.22 -43.68 81.43 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.276 0.56 . . . . 0.0 110.232 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.409 ' O ' ' HG3' ' A' ' 73' ' ' GLN . . . -62.67 -46.15 89.54 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.631 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.547 HD13 ' O ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -58.16 -42.49 86.09 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.331 -178.332 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -59.85 -41.53 91.66 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.081 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -59.99 -41.15 91.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.569 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 42.2 mt-30 -61.89 -42.65 99.33 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.381 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.3 mt -79.32 -29.15 42.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.144 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.72 -88.0 1.05 Allowed Glycine 0 N--CA 1.451 -0.366 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.455 ' O ' ' O ' ' A' ' 77' ' ' ASN . 0.4 OUTLIER -110.9 -62.98 1.46 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.835 0.35 . . . . 0.0 110.685 -179.43 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.458 ' OD1' ' HB3' ' A' ' 79' ' ' ALA . 33.9 t-20 48.49 105.83 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.674 -179.207 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.405 ' H ' ' HG3' ' A' ' 78' ' ' GLU . 84.4 mt-10 -42.81 -50.97 5.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.303 -179.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.458 ' HB3' ' OD1' ' A' ' 77' ' ' ASN . . . -48.16 -27.72 2.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.686 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.419 HD12 ' CD2' ' A' ' 36' ' ' TYR . 49.4 mm -102.22 -50.38 9.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.01 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.13 5.23 1.27 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.532 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -156.21 102.16 2.1 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -58.1 -22.92 52.82 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.653 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 72.6 mt -58.44 -55.8 20.32 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.678 -178.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.466 ' H ' HG12 ' A' ' 85' ' ' VAL . 1.1 p -72.16 -34.25 49.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -55.85 -50.14 62.69 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -179.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.605 ' SG ' ' N ' ' A' ' 88' ' ' ALA . 15.8 p -63.19 -47.42 82.66 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.739 -0.384 . . . . 0.0 109.981 179.287 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.605 ' N ' ' SG ' ' A' ' 87' ' ' CYS . . . -55.78 -35.03 65.82 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.587 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -66.06 -43.47 87.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.128 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.7 mt -60.94 -41.16 95.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.929 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -62.53 -45.31 93.56 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.839 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -60.8 -42.37 97.48 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.366 -0.533 . . . . 0.0 110.916 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -63.46 -47.65 80.95 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.771 -0.371 . . . . 0.0 111.01 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.43 -46.69 85.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.985 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.5 -40.3 96.26 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.693 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.497 ' NZ ' ' HB3' ' B' ' 189' ' ' ALA . 65.0 tttm -59.23 -44.74 92.32 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.318 -179.371 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 36.1 mmm -67.15 -42.75 83.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.047 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.478 ' CD2' ' OD2' ' A' ' 102' ' ' ASP . 38.8 t80 -63.4 -57.92 8.73 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.692 -179.174 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 99' ' ' LEU . 1.0 OUTLIER -53.74 -39.71 65.52 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.471 -179.111 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.432 ' CZ ' ' OE2' ' A' ' 104' ' ' GLU . 55.0 t80 -54.86 -48.15 73.31 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.854 -179.194 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.1 -38.87 86.43 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.989 179.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.478 ' OD2' ' CD2' ' A' ' 98' ' ' PHE . 80.4 m-20 -59.71 -46.85 87.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.789 -179.246 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -63.28 -44.07 96.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.625 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.432 ' OE2' ' CZ ' ' A' ' 100' ' ' TYR . 87.3 mt-10 -66.52 -31.74 72.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.566 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -68.38 -57.42 5.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.981 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 25.3 mtp-105 -64.33 -34.33 77.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.51 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.08 -12.1 35.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.452 -179.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 80.34 26.88 53.81 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 16.3 mmt85 -121.58 103.18 8.73 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.764 0.316 . . . . 0.0 110.227 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -99.88 141.82 32.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.329 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -154.03 169.9 22.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.677 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -62.43 -31.59 72.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.098 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -62.45 -33.6 75.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.56 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.442 ' HG2' ' N ' ' A' ' 115' ' ' ILE . 0.2 OUTLIER -57.89 -48.96 78.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.182 0.515 . . . . 0.0 109.613 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.442 ' N ' ' HG2' ' A' ' 114' ' ' MET . 53.4 mt -61.27 -44.82 99.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.553 -177.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.591 ' HD3' HD21 ' B' ' 174' ' ' LEU . 0.1 OUTLIER -62.31 -40.12 95.29 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.787 179.192 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 9.8 t -56.45 -51.35 68.74 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.831 -178.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -62.19 -47.3 85.11 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.484 -0.487 . . . . 0.0 110.854 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.429 ' CE1' ' CD2' ' A' ' 19' ' ' HIS . 44.3 t80 -60.94 -55.82 28.37 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-O 121.253 0.549 . . . . 0.0 110.689 -179.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 12.9 m -55.86 -44.38 78.02 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.247 -179.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -53.69 -37.58 63.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.102 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 6.5 p -62.42 -44.66 95.91 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-O 121.145 0.498 . . . . 0.0 110.901 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.9 mp -61.95 -39.88 93.65 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.161 0.505 . . . . 0.0 110.394 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 70.7 mt -62.27 -39.14 91.94 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.209 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 77.4 mt -59.68 -41.91 86.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.593 ' O ' ' OG1' ' A' ' 129' ' ' THR . 66.9 m-20 -59.43 -42.5 92.02 Favored 'General case' 0 C--O 1.245 0.856 0 CA-C-O 122.138 0.971 . . . . 0.0 109.912 179.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.646 ' O ' HG22 ' A' ' 130' ' ' VAL . 94.0 t -59.36 -33.15 50.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.338 179.165 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 89.3 mt -73.27 -44.31 55.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.632 178.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.692 HG22 HD11 ' A' ' 134' ' ' LEU . 36.6 p -48.25 -38.8 19.52 Favored 'General case' 0 CA--C 1.506 -0.737 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.508 -176.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.646 HG22 ' O ' ' A' ' 127' ' ' VAL . 4.3 m -41.56 -34.14 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.047 -0.661 . . . . 0.0 110.948 179.197 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -63.28 -46.43 86.84 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.43 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 107.84 44.06 1.25 Allowed Glycine 0 CA--C 1.527 0.839 0 N-CA-C 111.388 -0.685 . . . . 0.0 111.388 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -128.19 57.43 1.57 Allowed 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 121.007 0.432 . . . . 0.0 109.998 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.692 HD11 HG22 ' A' ' 129' ' ' THR . 4.1 mm? -84.92 90.04 7.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.057 0.456 . . . . 0.0 112.042 -178.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.691 ' N ' HD22 ' A' ' 138' ' ' ASN . 0.1 OUTLIER -92.49 145.83 24.15 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.395 179.47 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -39.24 -36.2 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.83 -179.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -57.67 -59.55 5.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.78 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.691 HD22 ' N ' ' A' ' 135' ' ' THR . 2.2 p30 -50.8 -47.5 59.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.248 0.547 . . . . 0.0 110.712 -179.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . 0.485 ' N ' ' CG ' ' A' ' 138' ' ' ASN . 70.2 t -60.76 -43.25 94.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.266 -178.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.6 -42.37 96.65 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.781 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 26.8 m170 -65.86 -43.86 87.16 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.196 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 9.8 tmm_? -58.67 -44.71 90.29 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.48 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -64.77 -38.13 89.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.819 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -69.71 -44.05 71.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.912 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -58.47 -41.71 85.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.854 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 66.7 mtp180 -69.83 -40.59 75.76 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.196 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 24.3 t90 -58.14 -51.46 69.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.836 0.351 . . . . 0.0 110.658 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 11.8 mmtm -61.99 -41.75 98.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.052 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -51.3 -52.63 43.46 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 120.719 -0.393 . . . . 0.0 111.103 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 36.2 p -69.19 -40.28 78.17 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.263 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -55.88 -48.34 75.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.948 0.404 . . . . 0.0 110.945 -178.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 36.8 mt -63.85 -44.97 98.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.508 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -55.5 -43.06 75.31 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.485 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -62.55 -38.03 88.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.503 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . 0.601 ' O ' ' OD1' ' A' ' 158' ' ' ASN . 80.6 m -60.21 -36.18 77.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.168 0.508 . . . . 0.0 110.037 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 156' ' ' LEU . 8.2 mp -67.68 -44.58 77.45 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 120.06 -0.656 . . . . 0.0 110.843 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -64.87 -43.36 93.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.442 -178.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' ASN . . . . . 0.601 ' OD1' ' O ' ' A' ' 155' ' ' CYS . 33.0 p30 -69.57 -19.97 63.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.547 -179.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . 0.562 ' N ' ' OD1' ' A' ' 158' ' ' ASN . . . 84.01 48.46 5.15 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.395 -1.082 . . . . 0.0 110.395 -178.503 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . 0.489 ' N ' ' OD1' ' A' ' 158' ' ' ASN . 58.4 mt-10 -141.61 159.77 41.53 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.82 0.343 . . . . 0.0 110.471 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 3.6 t -97.57 142.92 25.3 Favored Pre-proline 0 CA--C 1.535 0.383 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.297 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -68.75 155.15 69.7 Favored 'Trans proline' 0 N--CA 1.495 1.602 0 C-N-CA 122.512 2.142 . . . . 0.0 111.905 179.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 . . . . . 0 N--CA 1.464 0.23 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.079 179.777 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.259 0 N-CA-C 110.372 -1.091 . . . . 0.0 110.372 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.49 147.55 64.47 Favored Pre-proline 0 CA--C 1.535 0.38 0 CA-C-O 120.571 0.224 . . . . 0.0 110.424 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.74 -158.63 0.06 OUTLIER 'Trans proline' 0 N--CA 1.491 1.377 0 C-N-CA 122.653 2.235 . . . . 0.0 111.829 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 157' ' ' GLU . . . . . 0.538 ' N ' ' OE1' ' B' ' 157' ' ' GLU . 56.7 mp0 -99.32 117.55 34.01 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.886 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 34.6 mt -114.14 137.39 51.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.387 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -82.93 116.62 22.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.058 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 160' ' ' GLU . . . . . 0.653 ' H ' ' CD ' ' B' ' 160' ' ' GLU . 1.0 OUTLIER -54.88 -39.1 68.34 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.024 -179.412 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 161' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -62.9 -58.15 8.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.204 0.526 . . . . 0.0 110.636 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 162' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' B' ' 165' ' ' ALA . 29.9 m-20 -63.28 -48.3 78.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.435 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 14.3 tp -43.5 -49.55 7.3 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.438 -179.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -68.46 -31.24 70.4 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.971 -0.292 . . . . 0.0 110.786 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 165' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' B' ' 162' ' ' ASP . . . -65.81 -52.61 49.22 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 120.795 0.331 . . . . 0.0 111.507 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.29 -40.48 93.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.111 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.98 -50.99 68.6 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 119.841 -0.744 . . . . 0.0 110.362 -178.114 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 168' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -52.49 -46.04 66.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.235 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -60.47 -49.9 75.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.326 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 170' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' B' ' 174' ' ' LEU . 22.8 tp -59.58 -51.07 71.39 Favored 'General case' 0 C--O 1.218 -0.591 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 171' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' B' ' 175' ' ' LEU . . . -45.52 -55.24 7.05 Favored Glycine 0 C--O 1.223 -0.546 0 C-N-CA 120.296 -0.954 . . . . 0.0 111.535 -178.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 172' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.4 -52.13 65.89 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.542 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 173' ' ' GLU . . . . . 0.404 ' O ' ' CB ' ' B' ' 177' ' ' ASP . 75.0 tt0 -63.24 -52.01 63.9 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.523 -179.143 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . 0.597 ' C ' HD23 ' B' ' 174' ' ' LEU . 7.9 tt -63.21 -39.94 96.08 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.494 178.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 175' ' ' LEU . . . . . 0.53 ' O ' ' HB2' ' B' ' 179' ' ' ASP . 20.6 tp -46.6 -60.01 2.64 Favored 'General case' 0 C--O 1.215 -0.721 0 C-N-CA 120.045 -0.662 . . . . 0.0 110.701 179.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -84.03 -38.5 20.8 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -177.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 177' ' ' ASP . . . . . 0.456 ' O ' ' OE1' ' B' ' 178' ' ' GLU . 53.2 t0 -57.81 -15.36 8.06 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.491 -178.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 178' ' ' GLU . . . . . 0.54 ' O ' ' N ' ' B' ' 180' ' ' SER . 0.6 OUTLIER -119.71 -36.35 3.33 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.278 179.674 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 179' ' ' ASP . . . . . 0.53 ' HB2' ' O ' ' B' ' 175' ' ' LEU . 59.6 t0 -40.98 92.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.439 -0.504 . . . . 0.0 111.091 -178.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 180' ' ' SER . . . . . 0.54 ' N ' ' O ' ' B' ' 178' ' ' GLU . 0.9 OUTLIER -168.68 -143.61 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 121.081 0.467 . . . . 0.0 110.4 -179.716 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 8.5 t -67.88 -16.11 63.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.362 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 182' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -50.14 -33.9 20.47 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.537 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 183' ' ' LEU . . . . . 0.439 HD11 ' NZ ' ' A' ' 116' ' ' LYS . 7.9 mp -61.78 -40.61 95.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.569 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 184' ' ' ASP . . . . . 0.536 ' OD1' ' NH1' ' A' ' 30' ' ' ARG . 9.9 m-20 -69.74 -27.67 65.15 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.486 179.46 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -64.13 -51.18 65.17 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.552 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 186' ' ' ALA . . . . . . . . . . . . . . . -73.06 -30.96 64.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.898 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 187' ' ' ALA . . . . . . . . . . . . . . . -81.75 -55.73 4.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.989 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 188' ' ' SER . . . . . 0.434 ' N ' ' O ' ' B' ' 184' ' ' ASP . 0.9 OUTLIER -71.44 4.19 3.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.564 -179.7 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 189' ' ' ALA . . . . . 0.497 ' HB3' ' NZ ' ' A' ' 96' ' ' LYS . . . . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.634 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.4 mtp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.617 ' HB3' HE22 ' A' ' 73' ' ' GLN . . . -107.14 152.84 23.51 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.221 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.29 147.73 51.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.469 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.0 mt -119.01 154.62 32.79 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.927 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.3 143.96 16.91 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.466 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.81 138.27 37.27 Favored 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.48 2.12 . . . . 0.0 112.042 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 mt -75.44 150.17 84.6 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.499 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.475 ' O ' ' O ' ' A' ' 9' ' ' PRO . 17.8 Cg_endo -57.38 166.06 5.02 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 122.408 2.072 . . . . 0.0 111.963 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.475 ' O ' ' O ' ' A' ' 8' ' ' PRO . 85.6 Cg_exo -39.18 168.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.313 -1.333 0 C-N-CA 123.03 2.487 . . . . 0.0 111.708 179.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.66 98.85 22.13 Favored Pre-proline 0 CA--C 1.537 0.443 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.91 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -48.91 157.72 1.52 Allowed 'Trans proline' 0 N--CA 1.49 1.316 0 C-N-CA 122.18 1.92 . . . . 0.0 112.08 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.12 -40.19 92.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.137 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.9 pm0 -68.15 -23.13 64.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.03 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.478 ' O ' ' N ' ' A' ' 16' ' ' SER . 18.9 m-30 -102.68 -13.9 16.91 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-O 121.302 0.572 . . . . 0.0 110.536 -179.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.2 tttp -46.89 -17.04 0.04 OUTLIER 'General case' 0 C--N 1.317 -0.834 0 C-N-CA 120.191 -0.603 . . . . 0.0 110.164 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 14' ' ' PHE . 39.1 p -70.83 -53.51 15.0 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.011 0.434 . . . . 0.0 111.061 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 29.5 pt -67.99 -3.09 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.601 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -56.45 -41.02 75.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.196 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 43.4 m80 -60.49 -44.39 96.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.057 0.456 . . . . 0.0 110.73 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.608 ' HD1' ' HG ' ' A' ' 38' ' ' CYS . 1.6 t-80 -66.8 -41.32 87.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.648 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 93.2 mt -62.24 -41.71 98.67 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.633 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.67 -41.84 99.3 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.045 0.45 . . . . 0.0 109.984 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.9 m -58.36 -43.62 88.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.211 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 28' ' ' ASP . . . -67.79 -39.49 84.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.718 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.3 mm-40 -52.81 -42.5 65.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.152 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.462 ' OE2' ' OD2' ' B' ' 179' ' ' ASP . 38.7 mt-10 -75.11 -53.42 8.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.889 0.376 . . . . 0.0 110.43 179.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.543 ' O ' ' N ' ' A' ' 31' ' ' ASP . 63.6 m80 -60.02 -18.36 45.69 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.647 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 24' ' ' ALA . 61.5 t0 -48.94 -41.38 33.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.571 -179.181 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -90.5 -9.83 45.87 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.921 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -106.69 -62.82 1.35 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.776 0.322 . . . . 0.0 110.983 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.543 ' N ' ' O ' ' A' ' 27' ' ' HIS . 73.0 m-20 -122.36 95.6 46.86 Favored Pre-proline 0 C--O 1.235 0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.157 -179.316 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -71.14 -28.21 19.13 Favored 'Trans proline' 0 N--CA 1.492 1.439 0 C-N-CA 122.264 1.976 . . . . 0.0 111.97 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 90.2 t -61.57 -47.22 94.39 Favored 'Isoleucine or valine' 0 C--O 1.239 0.513 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.539 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.8 t -67.53 -41.9 86.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.833 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.09 -39.93 91.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.747 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -60.51 -52.23 66.09 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 121.006 0.432 . . . . 0.0 110.602 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -62.99 -36.62 84.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.227 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.608 ' HG ' ' HD1' ' A' ' 20' ' ' HIS . 11.8 t -58.87 -46.28 88.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.502 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.4 mtt-85 -58.54 -41.94 86.68 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.486 ' O ' ' HG3' ' A' ' 43' ' ' MET . 7.1 tp -56.96 -43.19 81.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.885 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -59.86 -41.12 90.76 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.3 179.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.28 -59.67 4.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.527 -178.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.486 ' HG3' ' O ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -52.08 -39.4 59.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.72 -178.549 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.407 HE21 ' HG ' ' A' ' 40' ' ' LEU . 71.3 mt-30 -68.92 -41.72 77.76 Favored 'General case' 0 CA--C 1.523 -0.085 0 CA-C-O 121.105 0.478 . . . . 0.0 111.042 -179.137 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.4 m -72.15 -41.86 66.62 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.774 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -62.42 -49.58 72.66 Favored Glycine 0 CA--C 1.522 0.52 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.814 -178.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.494 ' O ' ' O ' ' A' ' 50' ' ' ASP . 9.3 ptt? -64.83 -36.98 86.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.36 . . . . 0.0 110.434 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.5 tptt -64.11 -45.85 86.78 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.526 -179.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 56.4 mt -64.59 -48.08 86.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.961 -179.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.494 ' O ' ' O ' ' A' ' 47' ' ' MET . 91.4 m-20 -96.92 -175.77 3.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.293 -179.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.1 p 176.63 -24.7 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.581 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.5 mttm -136.72 86.39 2.21 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.916 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -178.0 134.05 0.33 Allowed Pre-proline 0 C--N 1.324 -0.534 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.797 179.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.78 -32.29 18.77 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 122.181 1.921 . . . . 0.0 112.255 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -59.97 -59.68 5.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.144 0.497 . . . . 0.0 110.552 -179.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.01 -36.19 76.68 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.982 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 67.9 ttt-85 -55.45 -43.57 75.55 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.175 -178.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.427 ' O ' ' OG ' ' A' ' 61' ' ' SER . 42.1 tttp -63.61 -41.51 98.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.118 179.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -60.99 -44.21 97.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.517 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.5 mt -60.78 -44.37 96.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.689 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' A' ' 58' ' ' LYS . 79.3 p -56.96 -44.68 82.86 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.163 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.1 mmtm -63.45 -39.94 95.81 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.516 179.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.511 ' O ' HD13 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -61.07 -46.84 89.01 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.454 -178.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 1.8 mtt -64.48 -39.24 93.44 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.515 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -59.41 -45.47 91.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.558 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -66.26 -40.65 90.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.912 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.6 mt -56.86 -44.67 82.42 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.436 -0.506 . . . . 0.0 110.945 -179.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -66.42 -42.77 87.26 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.363 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.63 -40.98 88.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.642 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.19 -47.79 84.03 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.589 -178.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 51.4 tttm -59.75 -41.52 91.16 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.462 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -63.6 -41.44 98.33 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.719 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.617 HE22 ' HB3' ' A' ' 2' ' ' ALA . 1.0 OUTLIER -62.56 -41.25 98.8 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.817 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 84.8 mt -78.04 -3.29 41.41 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.422 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.486 ' O ' ' CB ' ' A' ' 76' ' ' ASP . . . 50.85 48.77 43.82 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.935 179.236 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.508 ' O ' ' CB ' ' A' ' 77' ' ' ASN . 6.2 m-20 91.7 -100.58 0.0 OUTLIER 'General case' 0 CA--C 1.509 -0.612 0 O-C-N 124.398 0.705 . . . . 0.0 110.051 178.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' A' ' 76' ' ' ASP . 20.7 t-20 90.01 142.33 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.645 0 O-C-N 124.049 0.843 . . . . 0.0 110.019 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -65.33 -43.49 90.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.853 -179.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.469 ' HA ' HG13 ' A' ' 85' ' ' VAL . . . -58.69 -28.64 65.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.228 -178.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.551 HD12 ' N ' ' A' ' 80' ' ' ILE . 1.5 mp -93.65 -50.38 12.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.908 0.385 . . . . 0.0 111.121 -179.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 23.6 p -61.85 -50.1 73.6 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.005 -178.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -108.93 108.67 19.51 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.535 0.683 . . . . 0.0 110.491 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -60.85 -20.54 61.98 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.399 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 25.6 mm -54.85 -54.26 25.1 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.394 -178.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.469 HG13 ' HA ' ' A' ' 79' ' ' ALA . 2.3 p -71.05 -31.16 44.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.347 -0.388 . . . . 0.0 109.954 178.268 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.1 -43.52 96.97 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -68.74 -51.62 39.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.368 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.481 ' O ' ' ND2' ' A' ' 92' ' ' ASN . . . -53.99 -36.32 62.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.219 -179.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -66.26 -47.96 72.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.011 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.47 -44.44 97.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.931 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 73.2 tt0 -66.12 -49.67 66.7 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.732 -178.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 88' ' ' ALA . 3.8 m-80 -62.45 -42.26 99.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.674 -179.526 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -62.87 -45.78 90.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.346 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.99 -40.36 97.53 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.694 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 63.5 mt -62.82 -41.78 99.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.739 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -62.4 -44.48 96.34 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.307 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 37.4 tpp -67.6 -47.68 69.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.847 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.519 ' CG ' ' NE2' ' A' ' 141' ' ' HIS . 88.3 t80 -57.84 -51.39 69.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.343 -179.212 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 92.9 mt -61.59 -41.5 97.52 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.649 -179.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -50.96 -47.02 61.3 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.88 -39.24 79.9 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.938 0.399 . . . . 0.0 110.497 178.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -62.19 -42.16 99.02 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.159 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -63.72 -41.93 97.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.448 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -65.58 -34.9 79.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.116 -179.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -62.16 -46.88 87.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.619 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.78 -36.74 79.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.011 0.434 . . . . 0.0 110.522 179.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.06 -13.81 40.55 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.566 -0.454 . . . . 0.0 110.08 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 83.52 33.11 23.19 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -115.39 102.73 10.1 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.672 0.272 . . . . 0.0 110.341 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -103.54 133.37 48.68 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.856 0.36 . . . . 0.0 110.261 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.413 ' ND1' ' N ' ' A' ' 111' ' ' HIS . 0.1 OUTLIER -168.92 177.6 4.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.144 0.497 . . . . 0.0 110.596 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 32.9 mtmm -67.83 -16.47 64.12 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.815 179.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -62.6 -59.16 5.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.245 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 2.4 ppp? -61.77 -34.08 75.23 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.423 HD11 HG22 ' A' ' 152' ' ' ILE . 58.4 mt -60.54 -48.74 87.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 119.952 -0.699 . . . . 0.0 109.942 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -61.34 -35.29 77.01 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.331 -178.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 72.7 m -59.51 -47.79 84.14 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.055 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -61.44 -44.84 96.41 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.756 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -60.03 -53.72 54.46 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.087 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 15.0 m -55.75 -40.91 73.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.07 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -57.88 -41.81 83.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.645 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 56.4 p -60.45 -42.98 97.27 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 121.205 0.526 . . . . 0.0 110.969 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.1 mp -61.62 -39.48 91.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.211 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 91.4 mt -62.39 -37.12 84.51 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.395 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.467 ' O ' HG23 ' A' ' 129' ' ' THR . 86.4 mt -61.36 -43.49 96.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.472 ' O ' ' OG1' ' A' ' 129' ' ' THR . 2.4 m-20 -58.53 -41.97 86.72 Favored 'General case' 0 C--O 1.242 0.667 0 CA-C-O 121.305 0.574 . . . . 0.0 109.871 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.694 ' O ' HG22 ' A' ' 130' ' ' VAL . 60.2 t -59.17 -35.09 55.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.683 179.051 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 93.6 mt -71.25 -44.67 73.05 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.592 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.411 178.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.881 HG22 HD13 ' A' ' 134' ' ' LEU . 68.2 p -50.43 -36.99 35.66 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.578 -177.261 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.694 HG22 ' O ' ' A' ' 127' ' ' VAL . 2.1 m -48.89 -22.25 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 C-N-CA 120.445 -0.502 . . . . 0.0 111.181 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -60.38 -25.81 66.18 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.142 -178.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 90.8 12.64 60.39 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -112.43 -92.94 0.47 Allowed 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 120.866 0.365 . . . . 0.0 110.261 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.881 HD13 HG22 ' A' ' 129' ' ' THR . 13.1 tp 66.87 103.08 0.05 OUTLIER 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.138 179.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.19 165.67 14.31 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 179.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -53.13 -38.36 62.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.763 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -53.13 -49.58 66.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.788 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -62.47 -39.31 93.02 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.725 0.298 . . . . 0.0 110.765 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 49.1 t -61.0 -44.46 98.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -179.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -63.81 -36.63 84.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.72 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.519 ' NE2' ' CG ' ' A' ' 98' ' ' PHE . 22.1 t-160 -59.83 -45.58 91.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.598 -179.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 30.7 ttp180 -64.11 -42.27 96.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.533 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -56.46 -40.21 74.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.041 0.448 . . . . 0.0 110.544 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -75.4 -34.76 61.09 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.499 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -63.04 -46.17 88.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.173 -179.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.643 ' O ' HG23 ' A' ' 150' ' ' THR . 50.1 ptt85 -70.33 -40.92 73.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.589 -179.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' TRP . . . . . 0.403 ' N ' ' HG3' ' A' ' 146' ' ' ARG . 9.4 t90 -59.95 -52.42 65.46 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 120.991 0.424 . . . . 0.0 110.562 -179.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 8.2 tptp -59.43 -56.63 19.6 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.244 -178.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -47.4 -45.57 25.47 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.949 0.404 . . . . 0.0 111.248 -179.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . 0.643 HG23 ' O ' ' A' ' 146' ' ' ARG . 75.2 p -66.97 -43.99 81.63 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.393 -179.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . 0.489 ' O ' ' SG ' ' A' ' 155' ' ' CYS . 51.8 t80 -55.46 -44.81 76.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.57 -178.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . 0.423 HG22 HD11 ' A' ' 115' ' ' ILE . 38.6 mm -64.38 -43.98 97.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.641 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -64.92 -44.86 88.14 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.806 -178.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -65.08 -40.14 94.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.943 0.402 . . . . 0.0 111.014 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . 0.489 ' SG ' ' O ' ' A' ' 151' ' ' TYR . 91.8 m -64.75 -40.4 95.24 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.351 -179.114 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.682 ' C ' HD23 ' A' ' 156' ' ' LEU . 7.8 tt -61.81 -44.09 97.55 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.579 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.421 ' HZ1' ' CB ' ' B' ' 169' ' ' ALA . 91.4 mttt -61.45 -40.5 94.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.099 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -79.98 -22.87 42.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.821 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 75.5 49.62 9.0 Favored Glycine 0 CA--C 1.529 0.92 0 N-CA-C 110.639 -0.984 . . . . 0.0 110.639 -179.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -121.19 135.38 55.16 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.952 0.406 . . . . 0.0 110.981 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 18.7 m -64.33 115.98 24.3 Favored Pre-proline 0 CA--C 1.535 0.404 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.604 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -75.94 147.7 30.86 Favored 'Trans proline' 0 N--CA 1.493 1.459 0 C-N-CA 122.287 1.992 . . . . 0.0 112.161 -179.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 . . . . . 0 C--N 1.331 -0.204 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.245 179.657 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.398 0 N-CA-C 110.37 -1.092 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 1.1 p -132.64 152.76 80.52 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 120.723 0.297 . . . . 0.0 110.407 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -67.22 -179.22 1.71 Allowed 'Trans proline' 0 N--CA 1.494 1.5 0 C-N-CA 122.801 2.334 . . . . 0.0 111.817 179.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 157' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -80.26 96.08 6.5 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 20.5 mt -104.6 126.45 51.7 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.726 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 159' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' B' ' 160' ' ' GLU . 65.0 t0 -86.37 132.13 34.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.122 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 160' ' ' GLU . . . . . 0.433 ' N ' ' OD1' ' B' ' 159' ' ' ASP . 14.2 pt-20 -59.51 -35.85 74.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.011 -179.524 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 161' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -64.28 -57.11 10.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.395 0.617 . . . . 0.0 110.651 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 162' ' ' ASP . . . . . 0.419 ' O ' ' CG ' ' B' ' 166' ' ' GLU . 98.5 m-20 -63.18 -41.27 99.19 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.264 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 163' ' ' LEU . . . . . 0.414 HD21 ' NH1' ' A' ' 146' ' ' ARG . 47.0 tp -52.4 -44.98 65.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.862 -179.17 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 71.0 tt0 -69.41 -33.42 72.97 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.549 -179.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 165' ' ' ALA . . . . . . . . . . . . . . . -62.27 -45.89 91.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.241 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 166' ' ' GLU . . . . . 0.419 ' CG ' ' O ' ' B' ' 162' ' ' ASP . 0.0 OUTLIER -66.88 -47.82 70.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.439 -179.445 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . 0.409 HD22 HG22 ' A' ' 150' ' ' THR . 0.1 OUTLIER -57.34 -48.3 79.35 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.206 -0.597 . . . . 0.0 110.313 -178.258 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 168' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -55.79 -47.67 76.68 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.282 -178.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 169' ' ' ALA . . . . . 0.421 ' CB ' ' HZ1' ' A' ' 157' ' ' LYS . . . -57.87 -46.07 85.4 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 38.2 tp -60.86 -43.94 97.69 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -49.08 -43.33 32.08 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.392 -1.083 . . . . 0.0 110.392 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 172' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -61.48 -48.71 79.86 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 121.608 0.718 . . . . 0.0 110.326 179.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -58.6 -42.76 88.87 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.749 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -68.5 -32.38 72.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.307 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 3.2 tp -56.05 -41.08 74.48 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 176' ' ' ALA . . . . . 0.56 ' O ' ' O ' ' B' ' 177' ' ' ASP . . . -60.67 -34.29 74.09 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.169 -0.613 . . . . 0.0 110.818 179.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 177' ' ' ASP . . . . . 0.56 ' O ' ' O ' ' B' ' 176' ' ' ALA . 4.1 t70 49.01 120.82 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.3 0.571 . . . . 0.0 111.172 179.409 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 178' ' ' GLU . . . . . 0.484 ' CD ' ' N ' ' B' ' 178' ' ' GLU . 1.6 pm0 -135.63 28.47 3.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.529 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 179' ' ' ASP . . . . . 0.57 ' HB2' HD11 ' B' ' 183' ' ' LEU . 29.1 p-10 -43.69 168.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.682 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 180' ' ' SER . . . . . . . . . . . . . 6.6 t -170.1 -142.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.259 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 17.3 p -61.18 -18.76 59.85 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.185 0.517 . . . . 0.0 110.303 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 182' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -52.86 -35.03 57.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.649 179.428 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 183' ' ' LEU . . . . . 0.57 HD11 ' HB2' ' B' ' 179' ' ' ASP . 25.5 mt -59.63 -43.17 93.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.972 -177.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 184' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -66.26 -32.26 73.58 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.43 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 185' ' ' GLU . . . . . 0.418 ' O ' ' HB2' ' B' ' 189' ' ' ALA . 0.2 OUTLIER -60.6 -52.66 64.21 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 121.036 0.445 . . . . 0.0 110.406 -179.595 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 186' ' ' ALA . . . . . . . . . . . . . . . -64.51 -36.89 85.67 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.986 -179.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 187' ' ' ALA . . . . . . . . . . . . . . . -75.33 -39.1 59.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.344 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 188' ' ' SER . . . . . . . . . . . . . 31.0 m -101.65 18.79 19.45 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.434 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 189' ' ' ALA . . . . . 0.418 ' HB2' ' O ' ' B' ' 185' ' ' GLU . . . . . . . . 0 CA--C 1.539 0.546 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.123 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.6 ttm . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.538 ' O ' ' NE2' ' A' ' 73' ' ' GLN . . . -154.71 155.64 34.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.508 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -100.83 140.2 35.44 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.467 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.453 HD11 HD23 ' A' ' 70' ' ' LEU . 81.2 mt -76.97 148.7 36.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.486 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.2 152.03 78.83 Favored Pre-proline 0 CA--C 1.538 0.488 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.373 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -65.94 146.98 84.25 Favored 'Trans proline' 0 N--CA 1.497 1.694 0 C-N-CA 122.517 2.144 . . . . 0.0 111.543 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 64.7 mt -99.63 145.04 29.43 Favored Pre-proline 0 CA--C 1.537 0.456 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.726 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -65.44 169.14 13.08 Favored 'Trans proline' 0 N--CA 1.499 1.799 0 C-N-CA 122.742 2.295 . . . . 0.0 112.472 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -45.11 140.54 7.4 Favored 'Trans proline' 0 N--CA 1.491 1.344 0 C-N-CA 122.081 1.854 . . . . 0.0 111.43 179.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 tt -95.29 114.26 63.4 Favored Pre-proline 0 CA--C 1.537 0.479 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.23 -179.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -74.14 150.26 42.37 Favored 'Trans proline' 0 N--CA 1.495 1.611 0 C-N-CA 121.75 1.634 . . . . 0.0 112.105 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.35 -20.22 1.64 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.251 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -53.41 -35.52 60.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.688 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -109.88 36.14 3.11 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.03 0.443 . . . . 0.0 110.994 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 56.5 tttp -68.84 -30.66 69.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.995 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.2 m -65.88 -48.39 71.67 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.688 -179.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 42.5 pt -81.48 -13.91 12.53 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 CA-C-O 121.092 0.473 . . . . 0.0 110.578 -179.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.402 ' OE1' ' N ' ' A' ' 19' ' ' HIS . 6.4 tm0? -51.23 -41.24 60.17 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.747 -178.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.402 ' N ' ' OE1' ' A' ' 18' ' ' GLN . 2.6 m-70 -56.43 -39.13 72.57 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.729 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.619 ' ND1' ' SG ' ' A' ' 38' ' ' CYS . 0.2 OUTLIER -68.74 -37.52 79.48 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.649 179.455 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.6 mt -61.9 -43.9 97.9 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.566 -0.453 . . . . 0.0 111.006 -178.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.451 ' HE ' ' N ' ' A' ' 22' ' ' ARG . 1.6 mmp_? -66.22 -42.11 89.14 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-O 121.427 0.632 . . . . 0.0 110.142 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 33.1 m -62.44 -43.39 98.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.897 179.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 28' ' ' ASP . . . -60.78 -48.79 80.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.616 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.499 ' NE2' HH21 ' A' ' 39' ' ' ARG . 61.9 mm-40 -50.08 -46.13 53.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.685 -179.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -70.14 -52.17 25.64 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.636 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.532 ' O ' ' N ' ' A' ' 31' ' ' ASP . 3.5 m80 -61.01 -24.84 66.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.079 -179.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 24' ' ' ALA . 33.7 t0 -61.31 -41.19 96.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.78 0.324 . . . . 0.0 110.242 179.449 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.2 tptt -65.54 -44.55 86.52 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.229 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -84.17 -64.43 1.16 Allowed 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.304 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' A' ' 27' ' ' HIS . 5.5 m-20 -113.63 102.79 55.18 Favored Pre-proline 0 CA--C 1.54 0.591 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.88 -179.185 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -70.62 -28.14 21.5 Favored 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 121.739 1.626 . . . . 0.0 112.216 -178.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 57.3 t -62.81 -46.91 95.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.698 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 60.5 t -64.22 -45.38 96.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.23 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.28 -36.85 85.03 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.444 -0.503 . . . . 0.0 110.789 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -57.77 -55.3 36.67 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.062 0.458 . . . . 0.0 110.915 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -63.19 -31.17 72.25 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.72 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.619 ' SG ' ' ND1' ' A' ' 20' ' ' HIS . 7.3 t -60.58 -49.42 77.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.268 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.499 HH21 ' NE2' ' A' ' 25' ' ' GLN . 4.3 mpt_? -60.87 -39.54 89.55 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 tt -57.11 -45.78 83.17 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 119.952 -0.699 . . . . 0.0 110.079 -179.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.402 ' CE1' ' OG1' ' A' ' 45' ' ' THR . 10.3 t80 -56.53 -47.82 78.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.967 0.413 . . . . 0.0 110.491 179.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.25 -51.88 67.57 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.933 -178.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.456 ' C ' ' SD ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -51.0 -63.72 1.04 Allowed 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 120.79 0.328 . . . . 0.0 111.351 -179.365 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.405 ' HG3' ' N ' ' A' ' 45' ' ' THR . 3.8 pt20 -57.7 -37.75 74.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.835 -179.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.405 ' N ' ' HG3' ' A' ' 44' ' ' GLN . 91.2 m -69.16 -42.65 75.62 Favored 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 120.302 -0.559 . . . . 0.0 111.232 -179.175 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.06 -36.16 91.89 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.548 ' HG2' ' N ' ' A' ' 48' ' ' LYS . 2.2 ptm -66.16 -43.12 87.86 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-O 120.921 0.391 . . . . 0.0 110.221 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.548 ' N ' ' HG2' ' A' ' 47' ' ' MET . 95.9 mttt -64.2 -42.97 96.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.247 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 72.2 mt -64.83 -50.06 77.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 120.436 -0.506 . . . . 0.0 111.573 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 47' ' ' MET . 1.9 m-20 -94.69 -178.09 4.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.372 -179.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 57.7 m -166.31 -46.05 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.885 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -122.91 98.47 5.92 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -171.83 128.57 0.64 Allowed Pre-proline 0 C--N 1.324 -0.538 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.518 178.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -69.99 -33.94 14.75 Favored 'Trans proline' 0 N--CA 1.495 1.578 0 C-N-CA 121.698 1.599 . . . . 0.0 112.051 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.5 -46.12 84.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.043 0.449 . . . . 0.0 110.055 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 76.7 m -67.61 -37.54 82.67 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.193 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -59.09 -46.81 87.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.609 -179.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.5 ttpt -71.81 -39.73 69.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.262 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -58.46 -44.84 89.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.128 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 22.7 mt -64.06 -42.32 97.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.81 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.7 t -59.5 -43.89 93.25 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.697 -179.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.26 -43.66 97.35 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.425 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.5 tp -61.84 -38.97 90.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.027 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 43.1 ttp -58.74 -44.73 90.58 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -61.33 -38.43 86.84 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.264 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -65.93 -40.39 91.38 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.474 -0.49 . . . . 0.0 111.034 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.2 mt -58.87 -58.46 8.51 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.632 0.253 . . . . 0.0 111.37 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -62.44 -37.16 84.81 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.077 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.95 -49.15 77.78 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.459 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.575 HD13 ' O ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -60.13 -47.78 84.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.226 -178.79 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -57.59 -32.13 66.87 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.45 -0.5 . . . . 0.0 109.809 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.3 tptt -63.09 -44.36 95.93 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.701 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.538 ' NE2' ' O ' ' A' ' 2' ' ' ALA . 26.6 mt-30 -61.99 -45.21 94.6 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.985 0.421 . . . . 0.0 110.723 -179.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.518 ' O ' ' N ' ' A' ' 76' ' ' ASP . 45.2 mt -65.38 -29.75 70.5 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.272 -179.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 49.2 -84.2 0.01 OUTLIER Glycine 0 CA--C 1.524 0.653 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.065 179.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 74' ' ' LEU . 85.6 m-20 -94.95 81.15 3.7 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -178.195 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.426 HD22 HD13 ' A' ' 74' ' ' LEU . 60.5 t-20 -134.11 121.19 21.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.211 0.529 . . . . 0.0 110.795 179.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.481 ' C ' ' H ' ' A' ' 80' ' ' ILE . 21.9 mt-10 -71.77 -37.33 70.5 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.742 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.48 4.64 0.23 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.178 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.481 ' H ' ' C ' ' A' ' 78' ' ' GLU . 10.0 mm -134.3 -48.39 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 40.6 p -65.42 -41.82 93.17 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.467 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -109.28 109.1 19.92 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.322 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -21.33 57.02 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.63 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 58.3 mt -56.06 -56.05 15.05 Favored 'Isoleucine or valine' 0 C--O 1.238 0.493 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.227 -178.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.449 ' H ' HG12 ' A' ' 85' ' ' VAL . 1.6 p -73.94 -34.26 38.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.072 179.026 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.53 ' O ' ' ND1' ' A' ' 89' ' ' HIS . . . -57.52 -44.95 93.6 Favored Glycine 0 CA--C 1.52 0.375 0 N-CA-C 110.454 -1.059 . . . . 0.0 110.454 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 12.6 t -66.71 -48.37 69.44 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.579 179.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.71 -44.94 82.06 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.938 -179.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.53 ' ND1' ' O ' ' A' ' 86' ' ' GLY . 0.0 OUTLIER -59.56 -43.0 93.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.255 179.874 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.504 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -61.85 -45.14 95.08 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.413 -178.587 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -66.93 -41.5 86.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -63.78 -47.31 81.42 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 121.029 -0.268 . . . . 0.0 111.254 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -64.15 -45.12 89.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.896 0.379 . . . . 0.0 110.702 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.98 -41.94 90.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 29.8 tp -62.89 -45.0 94.6 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.271 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -61.53 -40.06 93.31 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.659 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 29.7 tpp -63.67 -50.05 70.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.975 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -59.63 -47.52 85.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -178.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -59.44 -40.94 88.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.499 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -59.08 -47.51 85.0 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.199 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.438 ' HB1' ' CZ ' ' A' ' 118' ' ' PHE . . . -68.86 -44.44 73.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.022 0.439 . . . . 0.0 110.941 179.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -62.25 -40.09 95.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.368 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -63.25 -41.22 99.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.729 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -62.42 -37.98 87.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.461 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -62.17 -47.98 82.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.95 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 56.3 ttp180 -63.44 -40.82 98.17 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.429 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.38 -6.11 3.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.714 -179.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 75.19 30.08 59.41 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 179.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.569 ' O ' ' SD ' ' A' ' 114' ' ' MET . 0.9 OUTLIER -106.67 111.51 24.09 Favored 'General case' 0 C--O 1.222 -0.391 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.751 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -100.32 135.07 42.32 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.25 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -164.79 149.99 9.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.14 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 46.6 pttt -59.76 -34.73 73.36 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 120.961 0.41 . . . . 0.0 110.978 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -55.44 -35.63 65.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.158 -179.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.569 ' SD ' ' O ' ' A' ' 109' ' ' ARG . 71.0 mtp -62.28 -42.05 99.02 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.791 -179.56 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 81.1 mt -60.96 -48.47 88.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.063 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -64.16 -34.91 79.15 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.261 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 6.5 t -61.05 -45.91 92.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.91 -179.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.438 ' CZ ' ' HB1' ' A' ' 101' ' ' ALA . 56.3 m-85 -64.28 -40.76 96.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.588 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -60.54 -50.24 74.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.024 0.44 . . . . 0.0 110.187 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 18.8 m -57.9 -41.59 82.91 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.292 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.412 ' O ' HG12 ' A' ' 125' ' ' ILE . . . -57.08 -45.07 83.63 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.123 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 39.1 p -60.26 -42.13 94.7 Favored 'General case' 0 C--O 1.244 0.808 0 CA-C-O 121.278 0.561 . . . . 0.0 111.645 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 62.9 mt -59.98 -39.88 87.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.729 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 97.8 mt -62.13 -41.22 98.05 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.104 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.505 HG21 ' HB3' ' A' ' 142' ' ' ARG . 28.5 mm -55.38 -44.71 76.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.067 -0.653 . . . . 0.0 109.359 -179.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -58.44 -43.32 88.72 Favored 'General case' 0 C--O 1.25 1.119 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.191 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.59 ' O ' HG22 ' A' ' 130' ' ' VAL . 67.5 t -58.19 -28.77 35.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.617 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.481 HD11 HD12 ' A' ' 90' ' ' LEU . 70.5 mt -77.23 -44.16 30.89 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.16 0 CA-C-O 121.06 0.457 . . . . 0.0 110.539 178.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.498 HG22 HD22 ' A' ' 134' ' ' LEU . 82.6 p -49.89 -34.03 19.0 Favored 'General case' 0 CA--C 1.516 -0.361 0 C-N-CA 120.201 -0.6 . . . . 0.0 110.429 -178.191 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.59 HG22 ' O ' ' A' ' 127' ' ' VAL . 5.4 m -41.41 -32.93 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 C-N-CA 120.155 -0.618 . . . . 0.0 111.122 179.241 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -63.01 -41.5 99.59 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.271 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 129' ' ' THR . . . 104.15 -32.75 7.2 Favored Glycine 0 N--CA 1.465 0.581 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -85.45 66.43 9.68 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.77 0.319 . . . . 0.0 110.155 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.498 HD22 HG22 ' A' ' 129' ' ' THR . 21.2 tp -86.4 122.18 30.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.261 -179.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.429 ' H ' HG22 ' A' ' 135' ' ' THR . 1.2 t -86.99 157.82 19.38 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.129 0.49 . . . . 0.0 111.0 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -56.63 -34.57 67.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.393 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 -48.23 -48.84 34.87 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.679 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -66.52 -39.4 88.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.423 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 58.1 t -59.98 -44.43 94.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.384 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.18 -41.0 70.89 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.584 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 3.4 m170 -66.82 -48.86 67.62 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.638 -178.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . 0.505 ' HB3' HG21 ' A' ' 125' ' ' ILE . 5.5 ppt_? -62.51 -38.06 88.46 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.345 -179.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -64.3 -40.19 95.43 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.94 0.4 . . . . 0.0 110.815 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -73.69 -40.13 63.86 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.688 -179.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -62.23 -42.21 99.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.32 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.433 HH11 HH11 ' A' ' 142' ' ' ARG . 61.1 mtp180 -66.69 -40.88 88.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.451 179.526 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 22.7 t90 -62.48 -49.93 73.44 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.789 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 4.9 mmtm -63.35 -39.84 95.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.102 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -55.83 -53.13 60.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.603 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 62.0 p -71.8 -38.8 70.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.584 -179.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . 0.497 ' O ' ' SG ' ' A' ' 155' ' ' CYS . 62.3 t80 -51.07 -53.58 32.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.94 -178.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 57.9 mt -70.13 -45.39 76.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.52 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . 0.669 ' ND1' ' N ' ' A' ' 154' ' ' ASN . 0.0 OUTLIER -57.85 -57.18 13.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.801 -179.496 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' ASN . . . . . 0.669 ' N ' ' ND1' ' A' ' 153' ' ' HIS . 0.3 OUTLIER -59.78 -39.97 86.71 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.103 -178.489 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . 0.497 ' SG ' ' O ' ' A' ' 151' ' ' TYR . 56.3 m -58.06 -36.33 72.64 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 119.654 -0.818 . . . . 0.0 109.264 179.4 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.663 ' O ' HD13 ' A' ' 156' ' ' LEU . 2.7 tm? -64.61 -42.6 95.43 Favored 'General case' 0 N--CA 1.436 -1.169 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.709 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.407 ' H ' ' HG2' ' A' ' 157' ' ' LYS . 53.7 mmtt -63.92 -41.86 97.54 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.398 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -73.5 -15.91 61.3 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.58 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 81.1 45.73 7.41 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.56 -1.016 . . . . 0.0 110.56 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -120.13 142.64 48.74 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.725 0.297 . . . . 0.0 110.39 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 28.5 m -84.22 116.64 65.88 Favored Pre-proline 0 CA--C 1.544 0.74 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.925 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -54.43 153.28 23.29 Favored 'Trans proline' 0 N--CA 1.503 2.043 0 C-N-CA 121.909 1.739 . . . . 0.0 112.615 179.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 . . . . . 0 N--CA 1.464 0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.383 179.614 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.604 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.42 162.25 50.55 Favored Pre-proline 0 CA--C 1.535 0.386 0 CA-C-O 120.672 0.272 . . . . 0.0 110.481 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -66.73 -159.64 0.04 OUTLIER 'Trans proline' 0 N--CA 1.494 1.512 0 C-N-CA 122.439 2.092 . . . . 0.0 111.593 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 157' ' ' GLU . . . . . 0.54 ' CD ' ' H ' ' B' ' 157' ' ' GLU . 2.1 pm0 -102.3 115.09 29.84 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 158' ' ' LEU . . . . . 0.543 ' H ' HD12 ' B' ' 158' ' ' LEU . 0.0 OUTLIER -121.46 140.54 52.04 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 -179.257 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -79.64 144.14 34.04 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.076 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 160' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.14 -39.11 88.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.838 0.352 . . . . 0.0 110.97 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 161' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -64.45 -48.62 74.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.032 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 162' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -61.19 -37.12 81.8 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.596 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 12.2 mt -60.01 -43.25 95.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.245 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -63.98 -36.42 83.92 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.32 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 165' ' ' ALA . . . . . . . . . . . . . . . -59.01 -48.73 80.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.29 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.62 -43.86 83.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.818 -178.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.46 -54.05 50.16 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.892 -178.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 168' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -52.16 -47.58 65.38 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.196 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -61.84 -47.52 84.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.401 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 7.5 tt -56.66 -44.77 81.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.35 -178.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -59.98 -41.01 97.7 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 172' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -59.72 -43.76 94.01 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.489 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -63.19 -48.61 77.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.325 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 10.4 mp -64.51 -35.76 82.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.261 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 5.2 tp -59.5 -46.0 90.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.099 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -66.67 -36.7 83.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.544 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 177' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -64.56 145.87 55.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.315 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 178' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -123.7 27.69 7.23 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.947 0.403 . . . . 0.0 110.242 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 179' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -65.03 151.49 45.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.423 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 180' ' ' SER . . . . . . . . . . . . . 63.2 m -149.82 -16.51 0.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.981 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 20.4 t -63.02 -19.68 64.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.133 0.492 . . . . 0.0 110.313 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 182' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -56.51 -32.96 65.57 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.9 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 183' ' ' LEU . . . . . . . . . . . . . 89.7 mt -60.62 -43.48 97.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.399 -178.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 184' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -67.55 -33.79 75.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.092 0.473 . . . . 0.0 110.485 178.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -62.58 -55.64 25.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.549 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 186' ' ' ALA . . . . . . . . . . . . . . . -59.89 -38.27 81.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.107 0.479 . . . . 0.0 110.412 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 187' ' ' ALA . . . . . . . . . . . . . . . -73.23 -15.8 61.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.481 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 188' ' ' SER . . . . . . . . . . . . . 9.7 p -63.52 -17.59 62.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.115 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 189' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.465 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.114 -179.324 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mtt . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -130.34 138.67 50.54 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.199 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -107.45 123.2 48.05 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.39 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.578 HD12 ' N ' ' A' ' 4' ' ' LEU . 9.4 mp -69.32 168.99 13.13 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.671 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.94 154.48 68.05 Favored Pre-proline 0 N--CA 1.446 -0.658 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.148 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_exo -61.36 148.37 93.11 Favored 'Trans proline' 0 N--CA 1.501 1.922 0 C-N-CA 122.566 2.177 . . . . 0.0 112.199 179.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.2 mt -79.43 151.15 74.58 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.922 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo -56.54 167.38 2.84 Favored 'Trans proline' 0 N--CA 1.497 1.729 0 C-N-CA 122.586 2.191 . . . . 0.0 111.982 179.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -36.24 143.67 0.1 Allowed 'Trans proline' 0 C--N 1.313 -1.309 0 C-N-CA 122.912 2.408 . . . . 0.0 111.582 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.5 tp -102.95 106.82 52.57 Favored Pre-proline 0 CA--C 1.541 0.6 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.918 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -48.92 165.54 0.18 Allowed 'Trans proline' 0 N--CA 1.491 1.355 0 C-N-CA 122.335 2.024 . . . . 0.0 112.216 178.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.24 -41.39 61.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.783 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.41 -12.58 0.72 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.858 -179.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.461 ' HB3' HD11 ' A' ' 17' ' ' ILE . 34.7 m-85 -109.83 24.33 13.19 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.35 0.595 . . . . 0.0 110.727 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.92 -32.78 74.66 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.42 178.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.8 p -64.15 -48.05 77.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.833 0.349 . . . . 0.0 111.791 -179.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.461 HD11 ' HB3' ' A' ' 14' ' ' PHE . 44.8 pt -76.4 -16.23 15.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.521 -179.271 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -45.34 -46.39 12.98 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.528 -179.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 58.9 m80 -59.4 -43.35 92.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.971 0.415 . . . . 0.0 110.887 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 75.8 m80 -62.5 -41.61 98.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.925 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.0 mt -62.79 -47.57 82.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.806 0.336 . . . . 0.0 111.301 -178.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 50.0 mmm-85 -67.65 -37.33 82.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.859 0.361 . . . . 0.0 110.264 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 63.2 m -61.4 -43.95 97.99 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.182 179.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.531 ' O ' ' N ' ' A' ' 28' ' ' ASP . . . -66.86 -41.19 87.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.577 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -52.09 -46.78 65.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.496 -179.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -67.84 -46.01 73.01 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.642 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.558 ' O ' ' N ' ' A' ' 31' ' ' ASP . 0.8 OUTLIER -69.74 -22.95 63.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.544 179.81 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.531 ' N ' ' O ' ' A' ' 24' ' ' ALA . 55.2 t0 -58.95 -47.53 84.75 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.588 -179.436 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -63.5 -46.24 87.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.03 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 56.2 ttt85 -83.35 -62.3 1.62 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.903 0.382 . . . . 0.0 111.205 -179.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.558 ' N ' ' O ' ' A' ' 27' ' ' HIS . 28.7 m-20 -107.98 94.61 13.06 Favored Pre-proline 0 CA--C 1.54 0.566 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.18 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -69.21 -31.41 23.02 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 122.117 1.878 . . . . 0.0 111.978 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 69.3 t -65.49 -46.83 88.76 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.07 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 85.1 t -62.28 -43.98 98.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.949 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.49 -40.28 94.01 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.557 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -54.48 -50.79 66.93 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -65.76 -40.0 91.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.427 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 10.9 t -58.62 -45.93 88.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.574 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -58.74 -41.96 87.72 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 tp -56.05 -44.27 78.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.087 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -57.73 -46.03 85.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.093 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.49 -53.42 58.27 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.674 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.467 ' SD ' ' SD ' ' A' ' 47' ' ' MET . 10.3 tmm? -52.94 -46.91 68.37 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 120.855 0.36 . . . . 0.0 110.686 -179.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -58.51 -44.87 89.66 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.723 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.6 m -74.76 -24.83 58.75 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.761 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -71.54 -52.45 12.66 Favored Glycine 0 CA--C 1.527 0.795 0 C-N-CA 121.064 -0.588 . . . . 0.0 111.819 -179.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.467 ' SD ' ' SD ' ' A' ' 43' ' ' MET . 6.1 ptt? -65.65 -34.36 78.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.689 0.28 . . . . 0.0 110.263 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -61.64 -46.09 91.26 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.608 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 79.6 mt -71.16 -51.59 33.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.005 0.431 . . . . 0.0 111.105 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.79 118.4 5.68 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.024 -178.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.7 m -111.38 -68.84 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.219 179.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.465 ' C ' HG22 ' A' ' 53' ' ' THR . 24.2 mmtp -132.51 101.62 5.4 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.216 0.531 . . . . 0.0 109.971 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.465 HG22 ' C ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -178.93 101.86 0.2 Allowed Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.378 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -52.22 -35.16 62.3 Favored 'Trans proline' 0 N--CA 1.496 1.67 0 C-N-CA 122.443 2.096 . . . . 0.0 112.505 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.413 ' H ' ' HG2' ' A' ' 55' ' ' GLU . 3.2 mm-40 -55.36 -56.97 14.01 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.652 0.739 . . . . 0.0 110.401 -179.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 92.8 m -64.64 -28.78 69.85 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.551 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 -58.68 -49.43 77.6 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 121.032 0.444 . . . . 0.0 110.68 -179.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.88 -42.21 88.95 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.048 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -57.17 -45.88 83.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.648 -179.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -61.63 -42.21 98.56 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.642 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 69.8 m -57.75 -42.01 83.11 Favored 'General case' 0 C--N 1.316 -0.884 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.036 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.6 tptt -64.14 -43.4 95.35 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.333 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 45.9 tp -62.79 -41.58 99.33 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.283 -179.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 36.9 ttm -63.67 -39.56 94.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.827 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -62.17 -38.87 90.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.234 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -62.64 -43.4 98.9 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.165 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.4 mt -59.84 -44.25 94.17 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.356 -0.537 . . . . 0.0 110.415 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -64.36 -41.2 96.85 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.37 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.93 -41.84 86.35 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.415 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.558 HD13 ' O ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -61.37 -42.93 99.51 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.223 0.535 . . . . 0.0 110.001 -178.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.96 -45.48 93.46 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.534 0.683 . . . . 0.0 109.786 -179.422 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -61.17 -39.54 90.51 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.609 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -56.48 -50.49 71.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.515 -179.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 72.1 mt -68.7 -30.82 69.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.712 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.425 ' O ' ' OD1' ' A' ' 76' ' ' ASP . . . 88.7 -80.92 1.57 Allowed Glycine 0 CA--C 1.521 0.462 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' A' ' 75' ' ' GLY . 0.8 OUTLIER -150.58 66.71 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.785 -179.699 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 -74.73 136.44 41.77 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -59.51 -40.5 87.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.903 0.382 . . . . 0.0 110.983 -179.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.99 -32.66 74.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.324 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 44.5 mm -92.59 -47.17 14.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.843 0.354 . . . . 0.0 111.049 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 40.9 p -62.13 -41.36 98.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.45 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -115.15 113.99 24.7 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-O 121.28 0.562 . . . . 0.0 110.336 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.52 ' O ' ' SG ' ' A' ' 87' ' ' CYS . 18.0 pt-20 -60.73 -31.47 70.77 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.631 -179.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 65.6 mt -50.26 -60.56 0.8 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.531 0 CA-C-O 121.03 0.443 . . . . 0.0 111.747 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -68.19 -34.29 65.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -60.36 -37.38 93.03 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 -179.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.604 ' SG ' ' CE1' ' A' ' 131' ' ' PHE . 68.1 m -68.32 -50.23 54.87 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.418 ' O ' ' ND2' ' A' ' 92' ' ' ASN . . . -52.59 -45.36 66.48 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.693 -179.282 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 49.8 t60 -64.29 -46.16 84.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.186 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.61 -42.3 98.69 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.494 -178.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -66.57 -44.79 81.33 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.193 -179.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.418 ' ND2' ' O ' ' A' ' 88' ' ' ALA . 2.1 m-80 -62.4 -42.38 99.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.818 -179.388 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -63.77 -44.41 93.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.65 -43.16 99.37 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.796 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.0 tt -65.02 -43.44 92.45 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.39 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -55.84 -42.97 76.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.985 -179.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 40.1 tpp -65.37 -47.04 77.78 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.636 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.621 ' CG ' ' NE2' ' A' ' 141' ' ' HIS . 69.9 t80 -64.07 -60.03 3.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.965 -179.354 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.56 -43.13 24.97 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.586 -179.089 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -59.14 -45.94 89.66 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.591 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -70.77 -47.32 60.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.059 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -62.79 -40.39 97.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.86 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -62.56 -44.28 96.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.856 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.76 -39.38 87.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.028 0.442 . . . . 0.0 110.161 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -56.7 -43.87 80.94 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.092 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 57.5 ttp180 -61.99 -43.41 98.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.117 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.06 -4.8 3.8 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.475 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 82.78 22.5 57.85 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -94.33 102.14 14.12 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.867 0.365 . . . . 0.0 110.696 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -106.38 134.87 48.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.202 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -166.36 173.19 10.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.381 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -63.53 -31.09 72.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.242 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -58.33 -34.3 70.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.275 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 3.6 mmm -60.75 -43.57 97.79 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 33.6 mm -62.82 -48.74 86.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.32 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 33.6 mmtt -58.29 -42.74 87.28 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.135 -179.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.434 ' OG ' ' N ' ' A' ' 118' ' ' PHE . 54.1 p -58.23 -58.74 7.14 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.561 -0.455 . . . . 0.0 111.418 -178.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.434 ' N ' ' OG ' ' A' ' 117' ' ' SER . 45.9 m-85 -56.75 -43.41 80.72 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.954 -179.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -57.7 -55.89 28.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.523 0.677 . . . . 0.0 110.024 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 86.3 m -61.35 -38.97 88.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.207 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -54.66 -46.32 74.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.588 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 82.0 p -61.09 -44.27 97.62 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.068 0.461 . . . . 0.0 110.567 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.569 ' O ' HG13 ' A' ' 127' ' ' VAL . 10.5 mp -62.24 -40.66 96.9 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.003 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.46 ' O ' HG22 ' A' ' 127' ' ' VAL . 52.4 mt -59.74 -40.53 88.38 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-O 121.582 0.706 . . . . 0.0 110.35 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.535 ' O ' HG23 ' A' ' 129' ' ' THR . 3.5 mm -62.16 -41.69 92.27 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.276 0 C-N-CA 120.164 -0.614 . . . . 0.0 110.658 179.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.415 ' O ' HG13 ' A' ' 130' ' ' VAL . 96.0 m-20 -58.58 -45.27 89.39 Favored 'General case' 0 C--O 1.243 0.742 0 CA-C-O 121.076 0.465 . . . . 0.0 111.715 -178.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.752 ' O ' HG22 ' A' ' 130' ' ' VAL . 0.7 OUTLIER -63.59 -31.84 54.49 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.698 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.326 179.648 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.409 HD12 ' HA ' ' A' ' 125' ' ' ILE . 76.4 mt -72.21 -47.92 51.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.771 0.796 . . . . 0.0 110.334 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.535 HG23 ' O ' ' A' ' 125' ' ' ILE . 68.9 p -50.31 -38.53 42.03 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.745 -178.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.752 HG22 ' O ' ' A' ' 127' ' ' VAL . 2.5 m -44.08 -15.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 C-N-CA 119.919 -0.712 . . . . 0.0 111.464 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.604 ' CE1' ' SG ' ' A' ' 87' ' ' CYS . 13.2 m-85 -62.83 -9.73 10.6 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.137 -178.363 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 111.06 -68.6 0.22 Allowed Glycine 0 CA--C 1.519 0.313 0 N-CA-C 111.609 -0.597 . . . . 0.0 111.609 179.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.525 ' OE1' ' N ' ' A' ' 133' ' ' GLU . 56.4 mp0 -123.08 127.9 49.38 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-O 120.978 0.418 . . . . 0.0 111.026 -178.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 12.2 tp -125.18 158.67 33.4 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.322 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.403 ' H ' HG22 ' A' ' 135' ' ' THR . 3.0 t -76.7 150.04 36.35 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.452 0.644 . . . . 0.0 110.613 179.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -60.24 -35.4 75.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.346 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -46.87 -42.0 16.7 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.488 0.661 . . . . 0.0 109.952 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -73.3 -35.56 66.14 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.744 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 40.7 t -57.56 -55.75 19.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.299 -178.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -62.32 -37.31 85.11 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.454 -0.498 . . . . 0.0 109.834 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.621 ' NE2' ' CG ' ' A' ' 98' ' ' PHE . 52.2 t-80 -54.48 -45.99 73.31 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . 0.498 ' NH1' ' CZ ' ' A' ' 146' ' ' ARG . 78.6 ttt-85 -60.5 -44.04 96.4 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.329 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -61.53 -38.48 87.56 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.392 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . 0.401 ' HD1' ' N ' ' A' ' 144' ' ' TYR . 2.7 m-85 -72.49 -41.72 65.66 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.694 -179.177 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -59.56 -44.87 93.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.756 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.498 ' CZ ' ' NH1' ' A' ' 142' ' ' ARG . 77.8 mtm180 -66.01 -43.74 86.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.74 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -59.89 -47.42 85.84 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.354 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -60.57 -41.52 94.77 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.522 -178.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.56 -47.07 87.0 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.131 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 59.1 p -71.71 -43.72 65.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.49 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -53.99 -51.19 64.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.765 -178.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 52.3 mt -64.33 -45.16 96.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.278 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 50.4 t60 -60.25 -45.82 91.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.267 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -66.68 -36.62 82.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.834 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.87 -63.26 1.21 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.085 -179.084 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.569 HD12 ' N ' ' A' ' 157' ' ' LYS . 4.5 pp -61.14 -29.84 70.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.074 -179.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.569 ' N ' HD12 ' A' ' 156' ' ' LEU . 8.7 ttmt -59.55 -42.22 91.9 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.432 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -82.01 -12.02 58.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.11 -179.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 85.46 43.82 6.4 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -117.59 141.04 48.84 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.079 0.466 . . . . 0.0 110.988 -179.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 1.5 m -66.65 128.7 93.98 Favored Pre-proline 0 CA--C 1.54 0.575 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.176 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -63.32 137.92 63.31 Favored 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 121.826 1.684 . . . . 0.0 112.108 178.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.273 179.428 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 0.144 0 N-CA-C 110.296 -1.121 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 2.6 m -126.21 130.54 23.92 Favored Pre-proline 0 N--CA 1.467 0.419 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -61.89 124.1 13.86 Favored 'Trans proline' 0 N--CA 1.493 1.493 0 C-N-CA 122.48 2.12 . . . . 0.0 112.669 -178.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 157' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -59.78 142.48 53.22 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.989 0.423 . . . . 0.0 110.514 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -135.16 153.09 52.09 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.997 -178.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -76.36 123.25 25.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.023 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 160' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -58.04 -39.48 78.5 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.583 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 161' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -62.57 -48.04 81.19 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.137 0.494 . . . . 0.0 110.412 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 162' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -65.8 -38.31 88.62 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.293 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 13.0 tp -57.35 -47.05 82.6 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.347 -178.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -64.71 -35.28 80.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.051 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 165' ' ' ALA . . . . . . . . . . . . . . . -58.31 -47.74 82.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.165 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.07 -49.66 66.82 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.572 -179.045 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.02 -56.24 15.52 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.047 -178.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 168' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -50.7 -49.09 58.33 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.8 -178.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -60.4 -48.95 79.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.902 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 68.9 tp -54.78 -46.37 74.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.805 -178.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -57.51 -43.25 94.16 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 -179.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 172' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -57.32 -44.56 84.27 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -62.99 -45.56 91.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.168 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 91.0 mt -63.51 -38.33 90.72 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.221 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 175' ' ' LEU . . . . . 0.612 HD13 ' O ' ' B' ' 175' ' ' LEU . 0.3 OUTLIER -59.37 -44.73 92.68 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.117 -178.782 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -67.13 -38.2 85.16 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.131 -0.628 . . . . 0.0 111.083 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 177' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -55.76 140.4 42.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.227 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 178' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -115.8 -46.71 2.83 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.53 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 179' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -62.52 140.46 58.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.886 0.374 . . . . 0.0 110.156 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 180' ' ' SER . . . . . . . . . . . . . 59.7 p -145.66 38.86 1.13 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.558 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 16.0 t -53.78 -25.62 19.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.056 0.455 . . . . 0.0 110.395 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 182' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -55.75 -34.88 65.61 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.043 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 183' ' ' LEU . . . . . . . . . . . . . 10.4 tp -58.27 -46.67 85.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.788 -177.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 184' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -68.07 -35.17 77.76 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.34 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 185' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' B' ' 189' ' ' ALA . 98.1 mt-10 -70.0 -42.09 73.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.818 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 186' ' ' ALA . . . . . . . . . . . . . . . -62.24 -40.15 95.21 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.494 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 187' ' ' ALA . . . . . . . . . . . . . . . -72.27 -56.95 4.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.676 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 188' ' ' SER . . . . . 0.436 ' O ' ' HB3' ' B' ' 189' ' ' ALA . 38.9 t -63.99 -40.95 97.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.091 0.472 . . . . 0.0 110.521 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 189' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' B' ' 185' ' ' GLU . . . . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.981 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.474 ' H2 ' ' HB3' ' A' ' 73' ' ' GLN . 59.2 mmm . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.0 155.58 21.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.531 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -101.3 118.68 37.46 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.464 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.4 mt -101.84 138.89 38.21 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.684 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.49 155.26 2.7 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.201 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -66.2 146.03 80.19 Favored 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 122.758 2.305 . . . . 0.0 112.123 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 20.6 mt -73.58 140.48 78.68 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.231 -179.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -69.39 167.39 24.08 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.481 2.12 . . . . 0.0 112.136 179.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -38.59 126.29 1.03 Allowed 'Trans proline' 0 C--N 1.316 -1.173 0 C-N-CA 122.449 2.099 . . . . 0.0 111.618 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.41 HD12 ' CE1' ' A' ' 59' ' ' PHE . 1.5 tt -99.23 116.87 64.84 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.384 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.51 149.93 29.13 Favored 'Trans proline' 0 N--CA 1.496 1.644 0 C-N-CA 122.323 2.015 . . . . 0.0 111.754 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.48 -19.97 65.9 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.851 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -59.78 -24.84 64.42 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.754 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -108.38 21.01 17.9 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 121.269 0.557 . . . . 0.0 110.483 -179.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.421 ' NZ ' ' NE2' ' A' ' 19' ' ' HIS . 7.0 tmtm? -59.52 -26.59 65.45 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.05 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.6 t -64.86 -47.96 76.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.86 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.402 HG12 ' H ' ' A' ' 17' ' ' ILE . 30.0 pt -85.3 -6.14 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.068 -179.452 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -55.36 -45.6 76.48 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.67 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.524 ' CD2' HH21 ' A' ' 22' ' ' ARG . 22.2 m170 -56.48 -37.49 70.41 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.234 0.54 . . . . 0.0 110.881 -179.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.56 -40.94 84.92 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.004 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.3 mt -59.7 -48.71 80.61 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.936 -178.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.524 HH21 ' CD2' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -62.2 -38.42 89.07 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.359 179.591 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 99.5 m -62.8 -44.06 97.16 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.212 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' A' ' 28' ' ' ASP . . . -67.44 -41.8 84.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.548 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -52.59 -45.23 66.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.322 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.426 ' OE1' ' OD1' ' B' ' 179' ' ' ASP . 77.7 tt0 -74.13 -47.39 36.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.046 0.45 . . . . 0.0 110.463 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.54 ' O ' ' N ' ' A' ' 31' ' ' ASP . 11.5 m80 -65.87 -21.86 66.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.579 -179.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 24' ' ' ALA . 5.9 t0 -56.77 -35.35 68.56 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.764 -0.375 . . . . 0.0 110.185 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.5 tptm -76.6 -36.3 57.59 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.937 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -90.21 -63.97 1.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.892 -179.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.54 ' N ' ' O ' ' A' ' 27' ' ' HIS . 37.5 m-20 -110.81 94.22 19.39 Favored Pre-proline 0 CA--C 1.537 0.443 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -69.15 -31.23 23.7 Favored 'Trans proline' 0 N--CA 1.494 1.518 0 C-N-CA 122.373 2.048 . . . . 0.0 111.875 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 94.3 t -62.65 -45.71 98.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.133 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.473 ' O ' ' SG ' ' A' ' 38' ' ' CYS . 65.3 t -67.86 -44.63 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.376 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.77 -35.88 77.53 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.287 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -63.02 -53.82 47.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.128 0.49 . . . . 0.0 110.624 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -65.19 -36.22 83.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.576 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.473 ' SG ' ' O ' ' A' ' 34' ' ' VAL . 95.1 m -57.52 -44.83 85.38 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.114 -179.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.8 mmt85 -64.17 -40.49 96.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.144 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 64.0 tp -56.82 -46.55 81.59 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.521 -179.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.408 ' O ' ' OG1' ' A' ' 45' ' ' THR . 16.2 t80 -59.12 -42.76 91.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.112 0.482 . . . . 0.0 110.071 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' A' ' 46' ' ' GLY . . . -63.68 -50.65 68.38 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.444 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 19.8 ttp -51.45 -65.99 0.46 Allowed 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 121.07 0.462 . . . . 0.0 111.408 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -51.59 -39.78 58.58 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.519 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 41' ' ' TYR . 40.5 m -70.74 -39.72 73.14 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.682 179.379 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -54.64 -62.34 6.33 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 111.471 -0.652 . . . . 0.0 111.471 -178.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.437 ' O ' ' O ' ' A' ' 50' ' ' ASP . 14.7 ptp -59.39 -38.67 81.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.092 0.472 . . . . 0.0 111.055 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.408 ' N ' ' CG ' ' A' ' 47' ' ' MET . 11.4 ttpt -59.93 -42.21 93.48 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.55 -178.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 71.4 mt -64.25 -46.58 92.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.18 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.505 ' OD1' ' O ' ' A' ' 46' ' ' GLY . 9.1 p-10 -98.18 -173.34 2.56 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 120.839 0.352 . . . . 0.0 110.433 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.437 ' O ' ' OG ' ' A' ' 51' ' ' SER . 6.5 t -136.2 55.15 1.86 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.413 -179.257 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.2 mttp 65.26 117.66 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.029 0.442 . . . . 0.0 110.505 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.489 HG23 ' H ' ' A' ' 56' ' ' CYS . 3.6 t -159.15 145.32 12.3 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.932 178.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -41.64 -54.99 2.5 Favored 'Trans proline' 0 C--N 1.313 -1.301 0 C-N-CA 122.242 1.961 . . . . 0.0 112.504 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -48.45 -61.88 1.78 Allowed 'General case' 0 C--O 1.241 0.644 0 CA-C-O 121.43 0.634 . . . . 0.0 110.532 -179.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.572 ' SG ' ' N ' ' A' ' 57' ' ' ARG . 8.3 p -57.66 -43.91 85.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.526 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.572 ' N ' ' SG ' ' A' ' 56' ' ' CYS . 52.8 ttt180 -44.06 -41.67 5.67 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.643 -179.576 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.65 -60.43 2.32 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.302 0.573 . . . . 0.0 111.016 -179.415 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.41 ' CE1' HD12 ' A' ' 10' ' ' LEU . 30.9 t80 -62.67 -47.36 84.03 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.299 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 56' ' ' CYS . 6.8 tp -56.51 -47.45 79.32 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.775 -178.093 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.9 t -56.95 -40.69 76.91 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.1 mmtt -63.15 -42.27 99.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.404 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 42.8 tp -60.39 -44.94 95.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.13 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 26.5 ttt -65.87 -39.97 91.19 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.195 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -56.74 -45.77 81.76 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.394 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -62.06 -44.81 95.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.426 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 mt -54.36 -51.81 63.6 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.779 -179.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -58.14 -49.85 75.56 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.135 0.493 . . . . 0.0 110.504 -179.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.59 -40.89 88.92 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.683 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.501 HD13 ' O ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -60.21 -41.24 92.62 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.077 -178.04 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -62.62 -40.07 95.8 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.993 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -59.91 -39.13 84.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.356 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.474 ' HB3' ' H2 ' ' A' ' 1' ' ' MET . 69.1 mm-40 -63.99 -50.98 66.43 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.22 179.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 60.8 mt -69.07 -31.43 70.18 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.719 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.14 -84.22 1.16 Allowed Glycine 0 N--CA 1.452 -0.298 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.463 ' O ' ' O ' ' A' ' 77' ' ' ASN . 34.4 m-20 -113.65 -65.99 1.13 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.959 0.409 . . . . 0.0 111.015 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.463 ' O ' ' O ' ' A' ' 76' ' ' ASP . 23.6 t-20 47.5 103.59 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.853 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.424 ' CB ' HG11 ' A' ' 85' ' ' VAL . 47.9 mt-10 -43.52 -45.26 6.44 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.74 -178.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.555 ' HA ' HG13 ' A' ' 85' ' ' VAL . . . -55.02 -28.62 53.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.496 -179.58 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.417 ' N ' ' O ' ' A' ' 77' ' ' ASN . 46.7 mm -98.82 -49.43 11.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.722 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.457 ' H ' ' HG1' ' A' ' 81' ' ' THR . 0.0 OUTLIER -61.94 -39.45 92.12 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.733 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -122.24 114.52 20.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.078 0.466 . . . . 0.0 110.714 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -62.05 -25.1 67.48 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.628 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 31.1 mm -48.67 -57.21 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.234 0.54 . . . . 0.0 110.492 -178.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.555 HG13 ' HA ' ' A' ' 79' ' ' ALA . 2.7 p -75.82 -32.58 24.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.273 -0.422 . . . . 0.0 109.979 179.004 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.653 ' O ' ' ND1' ' A' ' 89' ' ' HIS . . . -59.02 -41.42 96.44 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.183 -1.167 . . . . 0.0 110.183 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 7.8 t -70.86 -48.9 51.4 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 122.399 -0.471 . . . . 0.0 110.046 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.55 ' O ' ' ND2' ' A' ' 92' ' ' ASN . . . -50.09 -52.55 33.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.056 -179.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.653 ' ND1' ' O ' ' A' ' 86' ' ' GLY . 1.4 p-80 -59.79 -44.81 93.77 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.088 0.471 . . . . 0.0 110.646 -179.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.542 ' N ' ' CG ' ' A' ' 89' ' ' HIS . 1.0 OUTLIER -58.3 -42.23 86.18 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.853 -178.81 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -61.6 -44.2 97.45 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.694 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.55 ' ND2' ' O ' ' A' ' 88' ' ' ALA . 1.6 m-80 -63.92 -41.9 97.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.011 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -60.26 -49.18 78.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.694 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.38 -41.74 88.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.1 tp -59.62 -45.51 91.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.091 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -62.76 -40.83 98.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.047 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 13.8 tpp -64.07 -53.19 53.73 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.397 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -59.64 -49.39 77.92 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.491 -179.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.452 ' O ' ' ND2' ' A' ' 103' ' ' ASN . 2.7 mm? -60.35 -40.38 90.5 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.82 -179.302 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.585 ' CE2' ' OE1' ' A' ' 104' ' ' GLU . 89.6 t80 -53.89 -46.98 71.53 Favored 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.265 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.91 -48.36 63.51 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.064 0.459 . . . . 0.0 111.077 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.71 -39.04 73.16 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.366 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 99' ' ' LEU . 88.2 m-20 -62.22 -48.49 79.75 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.098 0.475 . . . . 0.0 110.706 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.585 ' OE1' ' CE2' ' A' ' 100' ' ' TYR . 18.0 mt-10 -68.31 -31.21 70.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.549 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -64.89 -42.15 95.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.661 -179.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -42.31 99.45 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.228 -179.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.04 -5.34 4.5 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.362 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 78.26 33.41 40.04 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 43.5 ttm-85 -105.19 106.09 16.43 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.568 ' CZ ' ' O ' ' A' ' 162' ' ' PRO . 14.4 m-85 -107.45 138.15 44.18 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.577 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.454 ' CG ' ' O ' ' A' ' 110' ' ' PHE . 23.9 m-70 -165.87 163.05 18.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.693 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.478 ' HA ' HD12 ' A' ' 115' ' ' ILE . 26.1 mtpp -59.01 -35.26 72.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.012 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.54 ' OD1' ' CD1' ' B' ' 182' ' ' TYR . 40.0 t-20 -58.56 -38.76 78.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.925 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 33.9 mmm -67.63 -38.86 84.48 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.478 HD12 ' HA ' ' A' ' 112' ' ' LYS . 97.9 mt -58.49 -48.07 86.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.203 0.525 . . . . 0.0 110.483 -178.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -70.5 -28.45 64.97 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.18 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 11.8 p -58.64 -44.15 89.95 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -68.93 -45.21 71.38 Favored 'General case' 0 C--O 1.227 -0.104 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.248 179.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -59.91 -55.43 34.16 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.808 0.814 . . . . 0.0 109.786 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 11.3 m -58.72 -45.21 90.09 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.229 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -52.53 -38.36 59.56 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.408 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.2 p -63.08 -38.69 92.19 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.3 0.572 . . . . 0.0 109.598 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.459 ' O ' HG23 ' A' ' 127' ' ' VAL . 49.9 mt -61.31 -42.26 98.37 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.484 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.55 -44.06 97.27 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.4 0.619 . . . . 0.0 111.164 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.1 mt -56.8 -42.4 77.6 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.095 0 C-N-CA 120.138 -0.625 . . . . 0.0 109.6 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.518 ' O ' ' OG1' ' A' ' 129' ' ' THR . 5.8 m-20 -61.05 -40.49 93.83 Favored 'General case' 0 C--O 1.248 1.018 0 CA-C-O 122.479 1.133 . . . . 0.0 109.778 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.632 ' O ' HG22 ' A' ' 130' ' ' VAL . 94.5 t -57.64 -33.23 44.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.125 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 59.8 mt -73.38 -42.81 56.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.226 0.536 . . . . 0.0 110.886 178.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.563 HG22 HD22 ' A' ' 134' ' ' LEU . 68.6 p -49.45 -33.94 15.44 Favored 'General case' 0 CA--C 1.51 -0.595 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.411 -177.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.632 HG22 ' O ' ' A' ' 127' ' ' VAL . 10.9 m -41.67 -36.13 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.011 179.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.41 ' N ' HG23 ' A' ' 130' ' ' VAL . 56.1 m-85 -64.89 -44.17 90.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.623 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 100.26 -17.26 57.19 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -91.87 60.44 3.89 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.563 HD22 HG22 ' A' ' 129' ' ' THR . 40.0 tp -111.05 137.31 48.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.528 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 22.2 p -82.13 154.55 25.47 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-O 121.353 0.597 . . . . 0.0 110.541 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -58.59 -34.16 70.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.466 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -52.11 -44.54 64.49 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.628 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.521 ' CB ' HD11 ' A' ' 134' ' ' LEU . 1.9 m120 -64.79 -37.85 89.0 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.824 0.345 . . . . 0.0 110.413 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 57.8 t -58.82 -43.87 89.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.166 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -64.18 -41.54 97.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.418 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 21.7 m80 -57.1 -43.11 81.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.953 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 10.8 ttm180 -60.71 -46.28 91.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.957 0.408 . . . . 0.0 110.043 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -62.64 -37.72 87.46 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.174 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -69.14 -47.55 64.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.341 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -56.17 -36.0 67.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.843 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 50.8 ttt180 -66.07 -48.13 72.03 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.025 0.44 . . . . 0.0 110.595 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 27.1 t90 -58.56 -44.61 89.77 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.309 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 20.9 mttm -63.4 -39.06 93.48 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.695 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -54.1 -51.78 63.08 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.712 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 9.8 p -72.24 -37.99 69.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.24 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -54.69 -49.14 71.39 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.796 -179.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 96.1 mt -66.64 -43.46 90.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.978 0.418 . . . . 0.0 110.737 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -57.14 -47.21 81.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.031 0.443 . . . . 0.0 110.627 -179.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' ASN . . . . . 0.529 ' ND2' ' OE1' ' B' ' 166' ' ' GLU . 88.2 m-20 -63.87 -39.44 94.21 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.267 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 93.5 m -63.64 -39.3 94.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.356 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.676 ' O ' HD12 ' A' ' 156' ' ' LEU . 0.6 OUTLIER -62.18 -45.82 91.68 Favored 'General case' 0 N--CA 1.441 -0.875 0 CA-C-O 121.399 0.618 . . . . 0.0 111.011 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -65.38 -32.58 74.29 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.95 -178.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' ASN . . . . . 0.427 ' OD1' ' O ' ' A' ' 154' ' ' ASN . 23.9 m120 -77.46 -19.41 56.01 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.859 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 81.83 37.84 15.32 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.497 -1.041 . . . . 0.0 110.497 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -127.8 128.35 45.12 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 120.847 0.355 . . . . 0.0 110.892 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . 0.52 ' O ' HG23 ' A' ' 161' ' ' THR . 5.6 t -68.83 116.95 46.35 Favored Pre-proline 0 CA--C 1.539 0.534 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.903 -179.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' PRO . . . . . 0.568 ' O ' ' CZ ' ' A' ' 110' ' ' PHE . 54.4 Cg_exo -48.6 138.26 25.2 Favored 'Trans proline' 0 N--CA 1.496 1.668 0 C-N-CA 122.227 1.951 . . . . 0.0 112.24 -179.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 . . . . . 0 N--CA 1.464 0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.246 179.967 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.106 0 N-CA-C 110.462 -1.055 . . . . 0.0 110.462 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 30.6 p -93.66 132.12 30.71 Favored Pre-proline 0 CA--C 1.538 0.489 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.672 -179.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -73.45 -159.67 0.09 OUTLIER 'Trans proline' 0 N--CA 1.496 1.638 0 C-N-CA 122.436 2.091 . . . . 0.0 111.879 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 157' ' ' GLU . . . . . 0.412 ' CG ' ' O ' ' B' ' 157' ' ' GLU . 5.7 pt-20 -97.15 104.41 16.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.037 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.93 140.68 52.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.993 0.425 . . . . 0.0 110.652 -179.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.82 142.61 36.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.946 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 160' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -65.37 -34.91 79.43 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.76 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 161' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -65.14 -54.93 22.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.863 0.363 . . . . 0.0 110.998 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 162' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -62.25 -39.58 93.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.994 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 49.3 tp -57.56 -47.79 81.12 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.417 -178.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -65.61 -32.38 73.92 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.419 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 165' ' ' ALA . . . . . . . . . . . . . . . -58.9 -49.38 78.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.668 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 166' ' ' GLU . . . . . 0.529 ' OE1' ' ND2' ' A' ' 154' ' ' ASN . 0.8 OUTLIER -63.19 -44.92 94.05 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.62 -179.166 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.33 -55.9 26.22 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.853 -178.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 168' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.79 -43.96 63.25 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.678 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -64.29 -52.44 58.54 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.258 0.551 . . . . 0.0 110.286 179.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 3.4 tt -54.67 -44.47 73.33 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.474 -0.49 . . . . 0.0 110.121 -179.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -56.3 -45.38 88.66 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.667 -0.973 . . . . 0.0 110.667 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 172' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -56.86 -43.89 81.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.297 0.57 . . . . 0.0 109.555 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -58.44 -55.76 30.85 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.2 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . 0.446 ' O ' ' O ' ' B' ' 177' ' ' ASP . 94.1 mt -59.15 -39.04 81.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.097 -179.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 175' ' ' LEU . . . . . 0.647 ' C ' HD23 ' B' ' 175' ' ' LEU . 7.7 tt -51.33 -41.37 60.52 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.656 -0.418 . . . . 0.0 109.885 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -55.21 -33.97 63.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.037 -0.528 . . . . 0.0 109.998 179.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 177' ' ' ASP . . . . . 0.446 ' O ' ' O ' ' B' ' 174' ' ' LEU . 9.9 t70 -140.56 112.5 7.64 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.122 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 178' ' ' GLU . . . . . . . . . . . . . 43.5 tp10 -119.45 -28.2 5.4 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.918 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 179' ' ' ASP . . . . . 0.426 ' OD1' ' OE1' ' A' ' 26' ' ' GLU . 55.0 m-20 -90.27 128.91 36.54 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.9 0.381 . . . . 0.0 110.838 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 180' ' ' SER . . . . . . . . . . . . . 1.5 t -165.22 165.69 19.47 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.729 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 181' ' ' SER . . . . . . . . . . . . . 17.5 p -81.27 -10.43 59.59 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.532 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 182' ' ' TYR . . . . . 0.54 ' CD1' ' OD1' ' A' ' 113' ' ' ASN . 0.1 OUTLIER -53.52 -44.14 68.88 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 121.434 0.635 . . . . 0.0 110.304 -179.188 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 183' ' ' LEU . . . . . 0.504 ' N ' ' CG ' ' B' ' 182' ' ' TYR . 1.1 pp -67.23 -35.78 80.28 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.324 -179.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 184' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -66.72 -36.51 82.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.786 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -67.06 -43.64 82.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.515 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.77 -38.96 89.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.525 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 187' ' ' ALA . . . . . . . . . . . . . . . -68.52 -38.43 80.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.941 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 188' ' ' SER . . . . . 0.427 ' O ' ' C ' ' B' ' 189' ' ' ALA . 54.3 p -68.04 -32.41 72.75 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.703 -179.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 189' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' B' ' 188' ' ' SER . . . . . . . . 0 CA--C 1.54 0.565 0 O-C-N 123.653 0.595 . . . . 0.0 111.271 -178.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.1 ttm . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.28 151.31 47.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.494 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -85.13 152.31 23.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.433 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 30.7 mt -118.65 151.97 36.96 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.159 0.504 . . . . 0.0 110.679 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.34 153.76 13.04 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.423 -179.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -68.71 148.89 72.65 Favored 'Trans proline' 0 N--CA 1.494 1.551 0 C-N-CA 122.734 2.289 . . . . 0.0 111.938 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 52.4 mt -85.03 145.31 43.07 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.904 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -68.1 166.48 24.81 Favored 'Trans proline' 0 N--CA 1.494 1.543 0 C-N-CA 122.593 2.196 . . . . 0.0 112.281 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -40.69 144.89 0.42 Allowed 'Trans proline' 0 C--N 1.311 -1.426 0 C-N-CA 122.621 2.214 . . . . 0.0 111.62 179.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 tt -106.35 104.68 51.4 Favored Pre-proline 0 CA--C 1.54 0.574 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.731 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -50.79 153.52 8.18 Favored 'Trans proline' 0 N--CA 1.497 1.68 0 C-N-CA 122.467 2.111 . . . . 0.0 112.462 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.31 -23.61 67.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.613 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -56.17 -25.46 46.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.658 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -113.75 26.95 9.92 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.402 0.62 . . . . 0.0 110.781 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -66.01 -23.78 66.63 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.713 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.9 p -73.77 -52.93 11.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.153 0.501 . . . . 0.0 111.34 -179.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -72.21 -12.5 15.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.414 -179.449 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -50.29 -37.15 34.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.875 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.7 m170 -59.62 -40.68 88.38 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -64.11 -42.52 96.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.565 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.71 -40.17 96.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.967 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.23 -48.41 81.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.228 0.537 . . . . 0.0 110.422 -178.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 28.3 m -63.03 -43.17 99.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.318 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.69 -49.41 77.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.877 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -54.87 -46.1 74.67 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.737 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.0 tp10 -68.09 -52.03 39.76 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.673 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.494 ' O ' ' N ' ' A' ' 31' ' ' ASP . 0.3 OUTLIER -61.05 -26.48 67.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.573 -179.601 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -49.97 -38.45 36.93 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.125 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -77.49 -34.09 54.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.826 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.8 mmp_? -86.75 -65.44 1.01 Allowed 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.085 -178.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.494 ' N ' ' O ' ' A' ' 27' ' ' HIS . 38.3 m-20 -124.13 107.95 30.15 Favored Pre-proline 0 CA--C 1.54 0.585 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.862 -179.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.39 -22.55 21.51 Favored 'Trans proline' 0 N--CA 1.492 1.411 0 C-N-CA 121.979 1.786 . . . . 0.0 111.879 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 79.7 t -62.33 -51.78 68.15 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.03 -178.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.464 HG13 ' N ' ' A' ' 35' ' ' ALA . 8.1 p -71.93 -39.75 67.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.389 179.526 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.464 ' N ' HG13 ' A' ' 34' ' ' VAL . . . -61.1 -42.53 98.7 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.385 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -61.78 -48.69 79.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.778 0.323 . . . . 0.0 110.513 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -63.89 -39.76 94.93 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.567 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 93.6 m -60.85 -44.22 97.28 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.847 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.537 HH22 ' CB ' ' A' ' 70' ' ' LEU . 44.2 mtm180 -60.38 -43.81 96.23 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.005 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 tt -58.6 -43.53 89.58 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.472 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.418 ' O ' ' OG1' ' A' ' 45' ' ' THR . 7.0 t80 -54.89 -45.88 74.72 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 121.333 0.587 . . . . 0.0 109.938 179.357 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.13 -49.38 77.47 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.632 -179.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 32.3 ttp -50.67 -58.15 6.56 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 120.852 0.358 . . . . 0.0 110.957 -178.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -60.16 -35.86 76.27 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.699 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 41' ' ' TYR . 18.4 m -71.3 -41.53 69.83 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.933 0.397 . . . . 0.0 110.616 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -62.05 -46.72 93.45 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.854 -0.498 . . . . 0.0 111.854 -178.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.453 ' O ' ' O ' ' A' ' 50' ' ' ASP . 10.6 ptt? -65.6 -35.92 82.23 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -66.7 -41.59 87.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.853 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 70.6 mt -62.33 -44.89 99.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.994 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.453 ' O ' ' O ' ' A' ' 47' ' ' MET . 7.9 m-20 -110.06 -168.1 1.28 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.973 0.416 . . . . 0.0 110.275 -179.446 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.1 t -151.23 4.52 0.45 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.051 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.55 ' O ' ' O ' ' A' ' 53' ' ' THR . 10.6 mttm 179.73 -97.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.797 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.55 ' O ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER 52.28 142.47 0.03 OUTLIER Pre-proline 0 CA--C 1.543 0.706 0 O-C-N 123.939 0.774 . . . . 0.0 110.704 -178.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -70.49 -51.21 0.34 Allowed 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 121.944 1.763 . . . . 0.0 111.78 179.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -65.08 -31.94 73.41 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.517 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.446 ' SG ' HD13 ' A' ' 60' ' ' LEU . 30.7 t -72.29 -67.21 0.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.05 -179.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 58' ' ' LYS . 20.2 ptp180 -41.11 -42.17 1.93 Allowed 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.726 -179.221 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.424 ' N ' ' HG3' ' A' ' 57' ' ' ARG . 0.3 OUTLIER -64.97 -43.26 93.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.056 0.455 . . . . 0.0 110.655 -179.765 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -61.64 -44.56 96.76 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.285 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.446 HD13 ' SG ' ' A' ' 56' ' ' CYS . 10.9 mp -62.14 -42.53 99.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.68 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 34.5 t -55.56 -48.14 75.25 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.716 -0.393 . . . . 0.0 110.366 -179.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.3 mmtt -66.78 -41.43 87.67 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 36.2 tp -61.2 -41.94 97.71 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.157 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 19.9 ttm -66.0 -39.79 90.6 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.423 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -58.18 -44.46 88.03 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.059 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.492 ' C ' HH12 ' A' ' 39' ' ' ARG . 72.6 mt-30 -62.45 -44.0 97.47 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.432 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.0 mt -57.54 -46.76 83.5 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.8 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -66.48 -43.18 86.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.168 0.508 . . . . 0.0 110.501 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.46 -38.78 92.44 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.101 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.537 ' CB ' HH22 ' A' ' 39' ' ' ARG . 0.2 OUTLIER -61.67 -43.27 99.17 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.073 -178.586 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.487 ' NZ ' ' O ' ' A' ' 75' ' ' GLY . 26.9 tptp -63.43 -37.88 88.99 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.855 179.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.7 tptt -59.7 -44.61 93.59 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.479 -178.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -63.16 -47.77 81.28 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.731 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.2 mt -69.66 -30.44 68.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.443 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.487 ' O ' ' NZ ' ' A' ' 71' ' ' LYS . . . 74.93 -84.86 0.79 Allowed Glycine 0 C--O 1.229 -0.185 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -145.5 80.64 1.6 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 61.1 t-20 -90.01 126.8 35.89 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.403 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -46.85 -37.99 9.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.286 -179.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.403 ' HA ' HG13 ' A' ' 85' ' ' VAL . . . -62.2 -36.73 82.83 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.45 -178.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 12.3 mm -94.14 -43.77 13.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.034 -179.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 36.3 p -62.59 -54.0 46.26 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.122 -178.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -100.44 106.93 18.55 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.266 0.555 . . . . 0.0 110.949 -178.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.92 -26.03 33.33 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.037 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 42.6 mm -49.53 -55.76 4.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.571 -177.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.454 ' H ' HG12 ' A' ' 85' ' ' VAL . 1.8 p -73.13 -35.92 48.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.484 178.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.39 -46.8 93.31 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 -179.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.5 t -63.73 -50.97 67.03 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 179.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.81 -36.91 75.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.434 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 69.4 t60 -58.84 -45.5 89.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.352 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -63.74 -44.41 93.59 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.099 -179.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.529 ' N ' ' OE1' ' A' ' 91' ' ' GLU . 0.4 OUTLIER -62.38 -42.56 99.51 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.58 -178.7 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -61.42 -42.65 99.08 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.276 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -61.66 -47.67 84.31 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.133 0.492 . . . . 0.0 110.689 -179.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.28 -48.79 80.22 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.907 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.1 tp -60.87 -42.53 98.08 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.696 -179.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 45.7 tptt -60.15 -49.25 78.36 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.627 0.727 . . . . 0.0 111.66 -178.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.441 ' SD ' ' CD1' ' A' ' 124' ' ' LEU . 5.6 ptm -77.11 -35.31 56.46 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.305 -178.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -63.62 -53.35 52.92 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 120.477 -0.489 . . . . 0.0 109.891 -178.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.74 -40.44 88.08 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.77 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -51.32 -46.95 62.75 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 119.782 -0.767 . . . . 0.0 110.354 179.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.31 -44.9 78.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.399 0.618 . . . . 0.0 111.009 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -61.9 -37.55 85.05 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.324 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 22.6 t30 -63.14 -43.73 97.54 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.472 179.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -70.53 -31.09 68.02 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.381 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -60.78 -51.82 67.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.267 -179.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 106' ' ' ARG . 2.3 ptt-85 -68.78 -35.94 77.67 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.114 0.483 . . . . 0.0 110.45 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.33 -10.67 17.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.127 -178.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 82.59 22.84 57.63 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.509 ' O ' ' SD ' ' A' ' 114' ' ' MET . 2.0 mmt85 -97.82 101.2 12.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.726 0.298 . . . . 0.0 110.612 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -101.62 133.79 45.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.874 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -168.36 151.93 5.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.292 179.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 57.7 pttt -50.94 -21.08 1.56 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.387 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -64.22 -39.44 93.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.494 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.509 ' SD ' ' O ' ' A' ' 109' ' ' ARG . 3.0 mtm -61.77 -40.98 97.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.687 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.37 -49.13 85.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.06 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 9.3 tttm -65.52 -29.5 70.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.648 -179.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.41 ' OG ' ' N ' ' A' ' 118' ' ' PHE . 10.6 p -61.71 -52.18 65.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.773 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.41 ' N ' ' OG ' ' A' ' 117' ' ' SER . 61.3 m-85 -64.26 -38.62 91.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.597 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -57.69 -55.85 29.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.058 0.456 . . . . 0.0 110.499 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 11.9 m -58.25 -40.88 82.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.963 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -57.37 -40.85 78.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.233 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 49.7 p -61.37 -42.31 98.49 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-O 121.667 0.746 . . . . 0.0 110.719 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 95.5 mt -62.36 -42.51 99.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.447 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.441 ' CD1' ' SD ' ' A' ' 97' ' ' MET . 15.0 mt -61.11 -38.54 86.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.423 0.63 . . . . 0.0 110.462 -179.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 89.8 mt -59.01 -42.58 86.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.417 ' O ' ' OG1' ' A' ' 129' ' ' THR . 37.0 t0 -57.97 -41.81 83.74 Favored 'General case' 0 C--O 1.249 1.045 0 CA-C-O 122.109 0.956 . . . . 0.0 110.506 179.127 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.685 ' O ' HG22 ' A' ' 130' ' ' VAL . 14.0 t -57.98 -34.3 48.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.671 179.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 89.9 mt -70.34 -43.79 78.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.907 178.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.575 HG22 HD11 ' A' ' 134' ' ' LEU . 67.4 p -51.33 -39.78 57.68 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.806 -176.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.685 HG22 ' O ' ' A' ' 127' ' ' VAL . 3.5 m -40.73 -28.18 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 C-N-CA 120.036 -0.666 . . . . 0.0 111.104 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.423 ' N ' ' O ' ' A' ' 129' ' ' THR . 35.3 m-85 -71.35 -44.3 65.3 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.837 179.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 129' ' ' THR . . . 104.35 34.45 3.63 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -121.42 59.52 0.96 Allowed 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 120.922 0.391 . . . . 0.0 110.702 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.575 HD11 HG22 ' A' ' 129' ' ' THR . 3.9 mm? -81.78 88.8 6.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.391 -178.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.72 ' N ' HD22 ' A' ' 138' ' ' ASN . 7.6 p -83.49 146.16 28.53 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.051 179.042 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -42.05 -41.8 2.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.671 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -54.22 -56.66 16.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.642 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.72 HD22 ' N ' ' A' ' 135' ' ' THR . 1.2 p30 -54.19 -45.05 72.08 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.081 0.467 . . . . 0.0 110.324 -179.275 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . 0.425 ' N ' ' CG ' ' A' ' 138' ' ' ASN . 61.7 t -61.73 -45.98 97.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.832 -178.039 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 4.7 ttmm -60.66 -45.38 94.35 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.454 0.645 . . . . 0.0 110.564 -178.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 34.6 m170 -64.33 -42.09 96.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.132 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -57.75 -42.69 84.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.392 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -62.32 -39.49 93.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -70.39 -42.76 71.28 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.516 -0.474 . . . . 0.0 111.578 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -55.9 -46.77 78.29 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.853 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.435 ' O ' HG23 ' A' ' 150' ' ' THR . 60.1 mtp85 -65.59 -45.23 84.03 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.974 -0.29 . . . . 0.0 111.633 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 18.1 t90 -61.39 -49.23 77.75 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.938 0.399 . . . . 0.0 111.085 -178.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -61.5 -39.91 92.66 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.807 -178.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -60.23 -48.12 83.07 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . 0.435 HG23 ' O ' ' A' ' 146' ' ' ARG . 37.3 p -73.8 -43.07 59.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.175 -179.025 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -52.4 -53.18 48.44 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.78 0.324 . . . . 0.0 110.838 -178.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 84.1 mt -65.58 -42.68 93.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.903 0.382 . . . . 0.0 110.521 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . 0.408 ' NE2' ' CE ' ' A' ' 157' ' ' LYS . 73.3 t60 -50.84 -52.57 40.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.051 -178.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -64.6 -37.25 86.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.455 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.14 -40.23 80.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.109 0.481 . . . . 0.0 110.833 -179.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.689 ' O ' HD12 ' A' ' 156' ' ' LEU . 0.1 OUTLIER -71.15 -42.09 69.6 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.279 0.561 . . . . 0.0 110.687 -179.564 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.511 ' N ' ' HG ' ' A' ' 156' ' ' LEU . 46.4 mttm -62.23 -34.34 76.31 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.628 -177.021 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -86.38 -14.44 43.42 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.77 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 83.57 14.17 74.11 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 110.655 -0.978 . . . . 0.0 110.655 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -82.18 142.75 31.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.717 0.294 . . . . 0.0 110.574 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 54.2 m -81.51 127.79 71.97 Favored Pre-proline 0 CA--C 1.539 0.548 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.547 -179.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -73.07 157.72 50.45 Favored 'Trans proline' 0 N--CA 1.497 1.717 0 C-N-CA 122.394 2.063 . . . . 0.0 112.068 179.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 . . . . . 0 C--N 1.332 -0.181 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.223 179.509 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.37 0 N-CA-C 110.556 -1.017 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 3.1 p -106.82 130.22 23.22 Favored Pre-proline 0 CA--C 1.54 0.59 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.018 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 156' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -73.86 -155.36 0.04 OUTLIER 'Trans proline' 0 N--CA 1.497 1.689 0 C-N-CA 122.461 2.107 . . . . 0.0 111.644 179.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 157' ' ' GLU . . . . . 0.487 ' C ' HD22 ' B' ' 158' ' ' LEU . 3.6 pt-20 -91.39 101.85 14.53 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.98 0.419 . . . . 0.0 110.09 179.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 158' ' ' LEU . . . . . 0.691 HD22 ' N ' ' B' ' 158' ' ' LEU . 3.2 mm? -96.14 127.01 41.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.217 0.532 . . . . 0.0 110.483 -179.334 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -77.13 114.47 15.97 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.937 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 160' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -44.08 -41.02 5.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.832 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 161' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -63.99 -50.01 70.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.984 0.421 . . . . 0.0 110.497 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 162' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -63.75 -49.18 74.03 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.462 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.13 -46.05 22.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.177 0.513 . . . . 0.0 110.532 -179.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.6 -36.99 83.95 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 165' ' ' ALA . . . . . . . . . . . . . . . -59.11 -45.76 90.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.715 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.74 -42.28 74.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.927 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.7 -56.14 25.59 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.389 -178.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 168' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -53.06 -48.8 67.39 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.221 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -60.6 -48.42 81.87 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.059 0.457 . . . . 0.0 110.269 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 7.6 tt -57.37 -43.36 83.49 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.356 -178.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 171' ' ' GLY . . . . . . . . . . . . . . . -58.66 -43.44 96.27 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 172' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -58.58 -40.59 83.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.825 0.345 . . . . 0.0 110.45 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -61.46 -52.8 63.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.945 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . 0.411 HD12 ' N ' ' B' ' 174' ' ' LEU . 10.9 mp -63.58 -37.99 89.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.02 0.438 . . . . 0.0 110.493 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 175' ' ' LEU . . . . . 0.607 HD13 ' O ' ' B' ' 175' ' ' LEU . 0.2 OUTLIER -66.48 -42.29 87.71 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 120.265 -0.574 . . . . 0.0 110.554 -179.529 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -73.93 -40.17 63.29 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 120.559 -0.457 . . . . 0.0 111.152 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 177' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -55.49 145.71 22.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.377 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 178' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -91.77 14.07 16.43 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.372 0.606 . . . . 0.0 110.056 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 179' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -65.61 138.64 58.15 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.346 -0.542 . . . . 0.0 110.482 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 180' ' ' SER . . . . . . . . . . . . . 45.9 p -158.68 -21.62 0.08 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.928 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 181' ' ' SER . . . . . 0.441 ' O ' ' OD2' ' B' ' 184' ' ' ASP . 81.9 p -56.61 -25.82 54.07 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-O 121.12 0.486 . . . . 0.0 110.547 -179.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 182' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.35 -31.95 64.25 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.207 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 183' ' ' LEU . . . . . . . . . . . . . 8.5 tp -56.82 -51.31 69.47 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.713 -176.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 184' ' ' ASP . . . . . 0.441 ' OD2' ' O ' ' B' ' 181' ' ' SER . 3.1 p30 -68.64 -30.95 69.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.726 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -60.24 -58.15 9.75 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.646 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.81 -33.96 75.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.325 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 187' ' ' ALA . . . . . . . . . . . . . . . -68.16 -42.81 79.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 188' ' ' SER . . . . . . . . . . . . . 34.1 m -102.23 24.27 10.46 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.994 -0.372 . . . . 0.0 109.994 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 189' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.48 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.754 -179.169 . . . . . . . . 0 0 . 1 stop_ save_